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

C9H16O — CID 20501690

IUPAC(3E)-3-methylocta-3,7-dien-2-ol
SMILESC=CCC/C=C(\C)C(C)O
InChIInChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h4,7,9-10H,1,5-6H2,2-3H3/b8-7+
InChIKeyFAECAFKIZRQBGM-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds4

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

(3E)-3-methylocta-3,7-dien-2-ol (PubChem CID 20501690) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-3-methylocta-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-methylocta-3,7-dien-2-ol
PubChem CID20501690
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-3-methylocta-3,7-dien-2-ol
SMILESC=CCC/C=C(\C)C(C)O
InChIInChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h4,7,9-10H,1,5-6H2,2-3H3/b8-7+
InChIKeyFAECAFKIZRQBGM-BQYQJAHWSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-methylocta-3,7-dien-2-ol?
The IUPAC name of (3E)-3-methylocta-3,7-dien-2-ol (CID 20501690) is (3E)-3-methylocta-3,7-dien-2-ol.
What is the SMILES notation for (3E)-3-methylocta-3,7-dien-2-ol?
The canonical SMILES for (3E)-3-methylocta-3,7-dien-2-ol is C=CCC/C=C(\C)C(C)O.
What is the InChIKey of (3E)-3-methylocta-3,7-dien-2-ol?
The InChIKey is FAECAFKIZRQBGM-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h4,7,9-10H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of (3E)-3-methylocta-3,7-dien-2-ol?
(3E)-3-methylocta-3,7-dien-2-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 (3E)-3-methylocta-3,7-dien-2-ol is sourced from PubChem (CID 20501690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).