2-hexyloctan-1-ol

C14H30O — CID 545551

IUPAC2-hexyloctan-1-ol
SMILESCCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyQNMCWJOEQBZQHB-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.54
Rot. Bonds11

About 2-hexyloctan-1-ol

2-hexyloctan-1-ol (PubChem CID 545551) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-hexyloctan-1-ol.

Molecular Properties

Compound Name2-hexyloctan-1-ol
PubChem CID545551
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-hexyloctan-1-ol
SMILESCCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKeyQNMCWJOEQBZQHB-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.54
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-hexyloctan-1-ol?
The IUPAC name of 2-hexyloctan-1-ol (CID 545551) is 2-hexyloctan-1-ol.
What is the SMILES notation for 2-hexyloctan-1-ol?
The canonical SMILES for 2-hexyloctan-1-ol is CCCCCCC(CO)CCCCCC.
What is the InChIKey of 2-hexyloctan-1-ol?
The InChIKey is QNMCWJOEQBZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-hexyloctan-1-ol?
2-hexyloctan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloctan-1-ol is sourced from PubChem (CID 545551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).