2,7-dimethylocta-2,6-dien-4-ol

C10H18O — CID 558898

IUPAC2,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CCC(O)C=C(C)C
InChIInChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5,7,10-11H,6H2,1-4H3
InChIKeyUJWFFQNWDJNWLH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds3

About 2,7-dimethylocta-2,6-dien-4-ol

2,7-dimethylocta-2,6-dien-4-ol (PubChem CID 558898) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,7-dimethylocta-2,6-dien-4-ol.

Molecular Properties

Compound Name2,7-dimethylocta-2,6-dien-4-ol
PubChem CID558898
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CCC(O)C=C(C)C
InChIInChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5,7,10-11H,6H2,1-4H3
InChIKeyUJWFFQNWDJNWLH-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.67
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

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
(2-cis,6-trans)-Farnesol
CID 1549108
6-Methyl-5-hepten-2-ol
CID 20745
4,8-Dimethyl-3,7-nonadien-2-ol
CID 5365818
3-Octen-2-ol
CID 42538
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
Ipsdienol
CID 92301
3,7-Dimethyl-2,6-octadienol
CID 4458
1,5-Octadien-3-ol
CID 205986

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-2,6-dien-4-ol?
The IUPAC name of 2,7-dimethylocta-2,6-dien-4-ol (CID 558898) is 2,7-dimethylocta-2,6-dien-4-ol.
What is the SMILES notation for 2,7-dimethylocta-2,6-dien-4-ol?
The canonical SMILES for 2,7-dimethylocta-2,6-dien-4-ol is CC(C)=CCC(O)C=C(C)C.
What is the InChIKey of 2,7-dimethylocta-2,6-dien-4-ol?
The InChIKey is UJWFFQNWDJNWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5,7,10-11H,6H2,1-4H3.
What are the key properties of 2,7-dimethylocta-2,6-dien-4-ol?
2,7-dimethylocta-2,6-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-2,6-dien-4-ol is sourced from PubChem (CID 558898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).