(5E)-2-methylocta-5,7-dien-3-ol

C9H16O — CID 12576353

IUPAC(5E)-2-methylocta-5,7-dien-3-ol
SMILESC=C/C=C/CC(O)C(C)C
InChIInChI=1S/C9H16O/c1-4-5-6-7-9(10)8(2)3/h4-6,8-10H,1,7H2,2-3H3/b6-5+
InChIKeyUUHVWNJCGNGONF-AATRIKPKSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

About (5E)-2-methylocta-5,7-dien-3-ol

(5E)-2-methylocta-5,7-dien-3-ol (PubChem CID 12576353) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (5E)-2-methylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E)-2-methylocta-5,7-dien-3-ol
PubChem CID12576353
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(5E)-2-methylocta-5,7-dien-3-ol
SMILESC=C/C=C/CC(O)C(C)C
InChIInChI=1S/C9H16O/c1-4-5-6-7-9(10)8(2)3/h4-6,8-10H,1,7H2,2-3H3/b6-5+
InChIKeyUUHVWNJCGNGONF-AATRIKPKSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methylocta-5,7-dien-3-ol?
The IUPAC name of (5E)-2-methylocta-5,7-dien-3-ol (CID 12576353) is (5E)-2-methylocta-5,7-dien-3-ol.
What is the SMILES notation for (5E)-2-methylocta-5,7-dien-3-ol?
The canonical SMILES for (5E)-2-methylocta-5,7-dien-3-ol is C=C/C=C/CC(O)C(C)C.
What is the InChIKey of (5E)-2-methylocta-5,7-dien-3-ol?
The InChIKey is UUHVWNJCGNGONF-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-7-9(10)8(2)3/h4-6,8-10H,1,7H2,2-3H3/b6-5+.
What are the key properties of (5E)-2-methylocta-5,7-dien-3-ol?
(5E)-2-methylocta-5,7-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methylocta-5,7-dien-3-ol is sourced from PubChem (CID 12576353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).