3,7-dimethyloct-6-en-1-ol

C10H20O — CID 8842

IUPAC3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCCC(C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKeyQMVPMAAFGQKVCJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 3,7-dimethyloct-6-en-1-ol

3,7-dimethyloct-6-en-1-ol (PubChem CID 8842) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name3,7-dimethyloct-6-en-1-ol
PubChem CID8842
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCCC(C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKeyQMVPMAAFGQKVCJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10819
Beta-citronellol, (S)-
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beta-CITRONELLOL, (R)-
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Menthadienol
CID 527143
(-)-Lavandulol
CID 5464156
(+)-Perillyl alcohol
CID 11788398
alpha-CAMPHOLENOL
CID 61284
Lavandulol, (+-)-
CID 94060
p-MENTH-1-EN-9-OL
CID 86753
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
2,6-Dimethyl-5-hepten-1-ol
CID 240230

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-en-1-ol?
The IUPAC name of 3,7-dimethyloct-6-en-1-ol (CID 8842) is 3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for 3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for 3,7-dimethyloct-6-en-1-ol is CC(C)=CCCC(C)CCO.
What is the InChIKey of 3,7-dimethyloct-6-en-1-ol?
The InChIKey is QMVPMAAFGQKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3.
What are the key properties of 3,7-dimethyloct-6-en-1-ol?
3,7-dimethyloct-6-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 8842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).