4-n-Propyl-trans-3-oxabicyclo[4.4.0]decane

4-n-Propyl-trans-3-oxabicyclo[4.4.0]decane
Compound Structure:
Synonyms: 3-Propyloctahydro-1H-isochromene #;4(axial)-n-Propyl-trans-3-oxabicyclo[4.4.0]decane
Compound ID: NMPC-429
PubChem ID:

587015
Molecular Formula: C12H22O
Canonical SMILES: CCCC1CC2CCCCC2CO1
InChIKey: UKJJGYVJOPXGJT-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

182.30 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

182.167065321 g/mol

Monoisotopic Mass

182.167065321 g/mol

Topological Polar Surface Area

9.2Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

155

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                
Source Species: Zingiber officinale
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