3-methylocta-2,6-dien-1-ol

C9H16O — CID 57183202

IUPAC3-methylocta-2,6-dien-1-ol
SMILESCC=CCCC(C)=CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyRDMNEYLXXQPRHD-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds4

About 3-methylocta-2,6-dien-1-ol

3-methylocta-2,6-dien-1-ol (PubChem CID 57183202) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name3-methylocta-2,6-dien-1-ol
PubChem CID57183202
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methylocta-2,6-dien-1-ol
SMILESCC=CCCC(C)=CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyRDMNEYLXXQPRHD-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.28
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

3-methyldodeca-2,6,10-trien-1-ol
CID 57126192
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
3-methylhepta-2,5-dien-1-ol
CID 167443292
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
(E)-but-2-enoic acid;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 175185571
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848

Frequently Asked Questions

What is the IUPAC name of 3-methylocta-2,6-dien-1-ol?
The IUPAC name of 3-methylocta-2,6-dien-1-ol (CID 57183202) is 3-methylocta-2,6-dien-1-ol.
What is the SMILES notation for 3-methylocta-2,6-dien-1-ol?
The canonical SMILES for 3-methylocta-2,6-dien-1-ol is CC=CCCC(C)=CCO.
What is the InChIKey of 3-methylocta-2,6-dien-1-ol?
The InChIKey is RDMNEYLXXQPRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 3-methylocta-2,6-dien-1-ol?
3-methylocta-2,6-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylocta-2,6-dien-1-ol is sourced from PubChem (CID 57183202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).