4-hydroxydodecanenitrile

C12H23NO — CID 10488163

IUPAC4-hydroxydodecanenitrile
SMILESCCCCCCCCC(O)CCC#N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h12,14H,2-10H2,1H3
InChIKeyFGDRHCXAOLNOJH-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.40
Rot. Bonds9

About 4-hydroxydodecanenitrile

4-hydroxydodecanenitrile (PubChem CID 10488163) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-hydroxydodecanenitrile.

Molecular Properties

Compound Name4-hydroxydodecanenitrile
PubChem CID10488163
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-hydroxydodecanenitrile
SMILESCCCCCCCCC(O)CCC#N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h12,14H,2-10H2,1H3
InChIKeyFGDRHCXAOLNOJH-UHFFFAOYSA-N
XLogP3.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.40
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

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
(3R)-3-hydroxynonanenitrile
CID 11298091
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of 4-hydroxydodecanenitrile?
The IUPAC name of 4-hydroxydodecanenitrile (CID 10488163) is 4-hydroxydodecanenitrile.
What is the SMILES notation for 4-hydroxydodecanenitrile?
The canonical SMILES for 4-hydroxydodecanenitrile is CCCCCCCCC(O)CCC#N.
What is the InChIKey of 4-hydroxydodecanenitrile?
The InChIKey is FGDRHCXAOLNOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h12,14H,2-10H2,1H3.
What are the key properties of 4-hydroxydodecanenitrile?
4-hydroxydodecanenitrile has a molecular weight of 197.32 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydodecanenitrile is sourced from PubChem (CID 10488163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).