3-ethoxy-3,7-dimethyl-1,6-octadiene

3-ethoxy-3,7-dimethyl-1,6-octadiene
Compound Structure:
Synonyms: ethyl linalyl ether;3-Ethoxy-3,7-dimethyl-1,6-octadiene;3-ethoxy-3,7-dimethylocta-1,6-diene;72845-33-1;1,6-Octadiene, 3-ethoxy-3,7-dimethyl-;linalyl ethyl ether
Compound ID: NMPC-350
PubChem ID:

175211
Molecular Formula: C12H22O
Canonical SMILES: CCOC(C)(CCC=C(C)C)C=C
InChIKey: GSFBRCUXDDCNKV-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

182.30 g/mol

XLogP3-AA

3.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

6

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

178

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Pycnanthus angolensis
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