5,7-dimethylocta-1,5,6-trien-3-ol

C10H16O — CID 162419505

IUPAC5,7-dimethylocta-1,5,6-trien-3-ol
SMILESC=CC(O)CC(C)=C=C(C)C
InChIInChI=1S/C10H16O/c1-5-10(11)7-9(4)6-8(2)3/h5,10-11H,1,7H2,2-4H3
InChIKeyVCPDYQZEGACIBY-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.43
Rot. Bonds3

About 5,7-dimethylocta-1,5,6-trien-3-ol

5,7-dimethylocta-1,5,6-trien-3-ol (PubChem CID 162419505) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,7-dimethylocta-1,5,6-trien-3-ol.

Molecular Properties

Compound Name5,7-dimethylocta-1,5,6-trien-3-ol
PubChem CID162419505
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5,7-dimethylocta-1,5,6-trien-3-ol
SMILESC=CC(O)CC(C)=C=C(C)C
InChIInChI=1S/C10H16O/c1-5-10(11)7-9(4)6-8(2)3/h5,10-11H,1,7H2,2-4H3
InChIKeyVCPDYQZEGACIBY-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.43
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

1-Hexen-3-Ol
CID 20928
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Ipsdienol
CID 92301
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
2-Methylhexa-1,5-dien-3-ol
CID 140185
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
(3R)-1-hexen-3-ol
CID 6992421
2,6-Dimethyl-1,5,7-octatrien-3-ol
CID 119847
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
(2E,6E,9xi)-Farnesol
CID 101648403
5-Methyl-1,5-hexadien-3-ol
CID 140186

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylocta-1,5,6-trien-3-ol?
The IUPAC name of 5,7-dimethylocta-1,5,6-trien-3-ol (CID 162419505) is 5,7-dimethylocta-1,5,6-trien-3-ol.
What is the SMILES notation for 5,7-dimethylocta-1,5,6-trien-3-ol?
The canonical SMILES for 5,7-dimethylocta-1,5,6-trien-3-ol is C=CC(O)CC(C)=C=C(C)C.
What is the InChIKey of 5,7-dimethylocta-1,5,6-trien-3-ol?
The InChIKey is VCPDYQZEGACIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(11)7-9(4)6-8(2)3/h5,10-11H,1,7H2,2-4H3.
What are the key properties of 5,7-dimethylocta-1,5,6-trien-3-ol?
5,7-dimethylocta-1,5,6-trien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylocta-1,5,6-trien-3-ol is sourced from PubChem (CID 162419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).