2-pentyloct-2-en-1-ol

C13H26O — CID 74043963

IUPAC2-pentyloct-2-en-1-ol
SMILESCCCCCC=C(CO)CCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyAQWKXQKDHKCCEH-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.07
Rot. Bonds9

About 2-pentyloct-2-en-1-ol

2-pentyloct-2-en-1-ol (PubChem CID 74043963) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-pentyloct-2-en-1-ol.

Molecular Properties

Compound Name2-pentyloct-2-en-1-ol
PubChem CID74043963
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-pentyloct-2-en-1-ol
SMILESCCCCCC=C(CO)CCCCC
InChIInChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3
InChIKeyAQWKXQKDHKCCEH-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.07
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 2-pentyloct-2-en-1-ol?
The IUPAC name of 2-pentyloct-2-en-1-ol (CID 74043963) is 2-pentyloct-2-en-1-ol.
What is the SMILES notation for 2-pentyloct-2-en-1-ol?
The canonical SMILES for 2-pentyloct-2-en-1-ol is CCCCCC=C(CO)CCCCC.
What is the InChIKey of 2-pentyloct-2-en-1-ol?
The InChIKey is AQWKXQKDHKCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-7-9-11-13(12-14)10-8-6-4-2/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 2-pentyloct-2-en-1-ol?
2-pentyloct-2-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloct-2-en-1-ol is sourced from PubChem (CID 74043963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).