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

C9H16O — CID 15143004

IUPAC2-methylocta-2,3-dien-1-ol
SMILESCCCCC=C=C(C)CO
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h6,10H,3-5,8H2,1-2H3
InChIKeyOHRNYXHSXSTLOF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.27
Rot. Bonds4

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

2-methylocta-2,3-dien-1-ol (PubChem CID 15143004) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methylocta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methylocta-2,3-dien-1-ol
PubChem CID15143004
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methylocta-2,3-dien-1-ol
SMILESCCCCC=C=C(C)CO
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h6,10H,3-5,8H2,1-2H3
InChIKeyOHRNYXHSXSTLOF-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylocta-2,3-dien-1-ol?
The IUPAC name of 2-methylocta-2,3-dien-1-ol (CID 15143004) is 2-methylocta-2,3-dien-1-ol.
What is the SMILES notation for 2-methylocta-2,3-dien-1-ol?
The canonical SMILES for 2-methylocta-2,3-dien-1-ol is CCCCC=C=C(C)CO.
What is the InChIKey of 2-methylocta-2,3-dien-1-ol?
The InChIKey is OHRNYXHSXSTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h6,10H,3-5,8H2,1-2H3.
What are the key properties of 2-methylocta-2,3-dien-1-ol?
2-methylocta-2,3-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-2,3-dien-1-ol is sourced from PubChem (CID 15143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).