(4S)-4-(hydroxymethyl)tetradecanenitrile

C15H29NO — CID 134853842

IUPAC(4S)-4-(hydroxymethyl)tetradecanenitrile
SMILESCCCCCCCCCCC(CO)CCC#N
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-11-15(14-17)12-10-13-16/h15,17H,2-12,14H2,1H3
InChIKeyIXNJLFVZGOAVAR-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.43
Rot. Bonds12

About (4S)-4-(hydroxymethyl)tetradecanenitrile

(4S)-4-(hydroxymethyl)tetradecanenitrile (PubChem CID 134853842) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)tetradecanenitrile.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)tetradecanenitrile
PubChem CID134853842
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(4S)-4-(hydroxymethyl)tetradecanenitrile
SMILESCCCCCCCCCCC(CO)CCC#N
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-11-15(14-17)12-10-13-16/h15,17H,2-12,14H2,1H3
InChIKeyIXNJLFVZGOAVAR-UHFFFAOYSA-N
XLogP4.43
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-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
6-hexyltridecanenitrile
CID 129015600
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-propyldodecan-1-ol
CID 14438908
2-propylheptadecan-1-ol
CID 137441509

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)tetradecanenitrile?
The IUPAC name of (4S)-4-(hydroxymethyl)tetradecanenitrile (CID 134853842) is (4S)-4-(hydroxymethyl)tetradecanenitrile.
What is the SMILES notation for (4S)-4-(hydroxymethyl)tetradecanenitrile?
The canonical SMILES for (4S)-4-(hydroxymethyl)tetradecanenitrile is CCCCCCCCCCC(CO)CCC#N.
What is the InChIKey of (4S)-4-(hydroxymethyl)tetradecanenitrile?
The InChIKey is IXNJLFVZGOAVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-11-15(14-17)12-10-13-16/h15,17H,2-12,14H2,1H3.
What are the key properties of (4S)-4-(hydroxymethyl)tetradecanenitrile?
(4S)-4-(hydroxymethyl)tetradecanenitrile has a molecular weight of 239.40 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)tetradecanenitrile is sourced from PubChem (CID 134853842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).