1-Hydroxyl-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene

1-Hydroxyl-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene
Compound Structure:
Synonyms: 1-Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene;CHEBI:172933
Compound ID: NMPC-090
PubChem ID:

5367550
Molecular Formula: C15H26O
Canonical SMILES: CC1=CCCC(C=CC(CC1)C(C)C)(C)O
InChIKey: RHCTXHCNRLCYBN-WSLVBCCMSA-N
About the compound:

1(10),5-germacradien-4-ol is a sesquiterpenoid with a unique chemical structure. It is a cyclodeca-2,7-diene molecule substituted with methyl, hydroxy, isopropyl, and methyl groups at positions 1, 1, 4S, and 7, respectively. This compound serves a role as a volatile oil component and is classified as a sesquiterpenoid, a tertiary allylic alcohol, and a carbocyclic compound. 1-Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene, which is also known as 1(10),5-germacradien-4-ol, is naturally occurring and can be found in various organisms, including Thulinella chrysantha and Daniellia oliveri.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

275

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

 
Source Species: Piper guineense
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