(3E,5Z)-3-methylocta-3,5,7-trien-1-ol

C9H14O — CID 89264860

IUPAC(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
SMILESC=C/C=C\C=C(/C)CCO
InChIInChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3-6,10H,1,7-8H2,2H3/b5-4-,9-6+
InChIKeyANLYOQIHPYBUKP-KMOPYBJPSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds4

About (3E,5Z)-3-methylocta-3,5,7-trien-1-ol

(3E,5Z)-3-methylocta-3,5,7-trien-1-ol (PubChem CID 89264860) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E,5Z)-3-methylocta-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
PubChem CID89264860
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
SMILESC=C/C=C\C=C(/C)CCO
InChIInChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3-6,10H,1,7-8H2,2H3/b5-4-,9-6+
InChIKeyANLYOQIHPYBUKP-KMOPYBJPSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
CID 155465991
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(Z)-3-methylpent-3-en-1-ol
CID 12576400
6-bromohepta-1,3,5-triene
CID 123654102
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
ethane;N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]carbamoyl chloride
CID 142013369
6-methoxyhepta-1,3,5-triene
CID 90882924

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-methylocta-3,5,7-trien-1-ol?
The IUPAC name of (3E,5Z)-3-methylocta-3,5,7-trien-1-ol (CID 89264860) is (3E,5Z)-3-methylocta-3,5,7-trien-1-ol.
What is the SMILES notation for (3E,5Z)-3-methylocta-3,5,7-trien-1-ol?
The canonical SMILES for (3E,5Z)-3-methylocta-3,5,7-trien-1-ol is C=C/C=C\C=C(/C)CCO.
What is the InChIKey of (3E,5Z)-3-methylocta-3,5,7-trien-1-ol?
The InChIKey is ANLYOQIHPYBUKP-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3-6,10H,1,7-8H2,2H3/b5-4-,9-6+.
What are the key properties of (3E,5Z)-3-methylocta-3,5,7-trien-1-ol?
(3E,5Z)-3-methylocta-3,5,7-trien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methylocta-3,5,7-trien-1-ol is sourced from PubChem (CID 89264860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).