2-pentyldodecan-1-ol

C17H36O — CID 23125768

IUPAC2-pentyldodecan-1-ol
SMILESCCCCCCCCCCC(CO)CCCCC
InChIInChI=1S/C17H36O/c1-3-5-7-8-9-10-11-13-15-17(16-18)14-12-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyREJICCUFLTUFHE-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.71
Rot. Bonds14

About 2-pentyldodecan-1-ol

2-pentyldodecan-1-ol (PubChem CID 23125768) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 2-pentyldodecan-1-ol.

Molecular Properties

Compound Name2-pentyldodecan-1-ol
PubChem CID23125768
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name2-pentyldodecan-1-ol
SMILESCCCCCCCCCCC(CO)CCCCC
InChIInChI=1S/C17H36O/c1-3-5-7-8-9-10-11-13-15-17(16-18)14-12-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyREJICCUFLTUFHE-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.71
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

2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
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
(2S)-2-propyldecan-1-ol
CID 10176571
2-propylheptadecan-1-ol
CID 137441509
2-propyldodecan-1-ol
CID 14438908
2-pentadecylpropane-1,3-diol
CID 91351654
2-decylhexane-1,6-diol
CID 141462709

Frequently Asked Questions

What is the IUPAC name of 2-pentyldodecan-1-ol?
The IUPAC name of 2-pentyldodecan-1-ol (CID 23125768) is 2-pentyldodecan-1-ol.
What is the SMILES notation for 2-pentyldodecan-1-ol?
The canonical SMILES for 2-pentyldodecan-1-ol is CCCCCCCCCCC(CO)CCCCC.
What is the InChIKey of 2-pentyldodecan-1-ol?
The InChIKey is REJICCUFLTUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-3-5-7-8-9-10-11-13-15-17(16-18)14-12-6-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-pentyldodecan-1-ol?
2-pentyldodecan-1-ol has a molecular weight of 256.47 g/mol, XLogP of 5.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyldodecan-1-ol is sourced from PubChem (CID 23125768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).