(2S)-2-propyldecan-1-ol

C13H28O — CID 10176571

IUPAC(2S)-2-propyldecan-1-ol
SMILESCCCCCCCC[C@@H](CO)CCC
InChIInChI=1S/C13H28O/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyRDVXPVLRPMHRBN-ZDUSSCGKSA-N
MW200.37 g/mol
LogP4.15
Rot. Bonds10

About (2S)-2-propyldecan-1-ol

(2S)-2-propyldecan-1-ol (PubChem CID 10176571) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-2-propyldecan-1-ol.

Molecular Properties

Compound Name(2S)-2-propyldecan-1-ol
PubChem CID10176571
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name(2S)-2-propyldecan-1-ol
SMILESCCCCCCCC[C@@H](CO)CCC
InChIInChI=1S/C13H28O/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h13-14H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyRDVXPVLRPMHRBN-ZDUSSCGKSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.15
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-propylheptadecan-1-ol
CID 137441509
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 (2S)-2-propyldecan-1-ol?
The IUPAC name of (2S)-2-propyldecan-1-ol (CID 10176571) is (2S)-2-propyldecan-1-ol.
What is the SMILES notation for (2S)-2-propyldecan-1-ol?
The canonical SMILES for (2S)-2-propyldecan-1-ol is CCCCCCCC[C@@H](CO)CCC.
What is the InChIKey of (2S)-2-propyldecan-1-ol?
The InChIKey is RDVXPVLRPMHRBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28O/c1-3-5-6-7-8-9-11-13(12-14)10-4-2/h13-14H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-propyldecan-1-ol?
(2S)-2-propyldecan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propyldecan-1-ol is sourced from PubChem (CID 10176571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).