2-propylheptadecan-1-ol

C20H42O — CID 137441509

IUPAC2-propylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CO)CCC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-20(19-21)17-4-2/h20-21H,3-19H2,1-2H3
InChIKeyLCJJXTMIGJGUAL-UHFFFAOYSA-N
MW298.55 g/mol
LogP6.88
Rot. Bonds17

About 2-propylheptadecan-1-ol

2-propylheptadecan-1-ol (PubChem CID 137441509) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 2-propylheptadecan-1-ol.

Molecular Properties

Compound Name2-propylheptadecan-1-ol
PubChem CID137441509
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name2-propylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CO)CCC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-20(19-21)17-4-2/h20-21H,3-19H2,1-2H3
InChIKeyLCJJXTMIGJGUAL-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 56.88
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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Related Compounds

(2S)-2-propyldecan-1-ol
CID 10176571
2-propyldodecan-1-ol
CID 14438908
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
ethanol;2-heptylnonan-1-ol
CID 122482877
2-pentadecylpropane-1,3-diol
CID 91351654
2-decylhexane-1,6-diol
CID 141462709

Frequently Asked Questions

What is the IUPAC name of 2-propylheptadecan-1-ol?
The IUPAC name of 2-propylheptadecan-1-ol (CID 137441509) is 2-propylheptadecan-1-ol.
What is the SMILES notation for 2-propylheptadecan-1-ol?
The canonical SMILES for 2-propylheptadecan-1-ol is CCCCCCCCCCCCCCCC(CO)CCC.
What is the InChIKey of 2-propylheptadecan-1-ol?
The InChIKey is LCJJXTMIGJGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-20(19-21)17-4-2/h20-21H,3-19H2,1-2H3.
What are the key properties of 2-propylheptadecan-1-ol?
2-propylheptadecan-1-ol has a molecular weight of 298.55 g/mol, XLogP of 6.88, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylheptadecan-1-ol is sourced from PubChem (CID 137441509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).