3,3-dichloro-2-hydroxyundecanenitrile

C11H19Cl2NO — CID 11107813

IUPAC3,3-dichloro-2-hydroxyundecanenitrile
SMILESCCCCCCCCC(Cl)(Cl)C(O)C#N
InChIInChI=1S/C11H19Cl2NO/c1-2-3-4-5-6-7-8-11(12,13)10(15)9-14/h10,15H,2-8H2,1H3
InChIKeyKSSYCMGZAJDXAN-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.80
Rot. Bonds8

About 3,3-dichloro-2-hydroxyundecanenitrile

3,3-dichloro-2-hydroxyundecanenitrile (PubChem CID 11107813) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is 3,3-dichloro-2-hydroxyundecanenitrile.

Molecular Properties

Compound Name3,3-dichloro-2-hydroxyundecanenitrile
PubChem CID11107813
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC Name3,3-dichloro-2-hydroxyundecanenitrile
SMILESCCCCCCCCC(Cl)(Cl)C(O)C#N
InChIInChI=1S/C11H19Cl2NO/c1-2-3-4-5-6-7-8-11(12,13)10(15)9-14/h10,15H,2-8H2,1H3
InChIKeyKSSYCMGZAJDXAN-UHFFFAOYSA-N
XLogP3.80
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetrachlorooctane
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CID 87770465
3-ethyl-3-fluoro-2-hydroxyheptanenitrile
CID 123922312
11-decyldodecane-1,1,11,12-tetrol
CID 91079492
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
nonacosane-1,1-diol
CID 23066924
11-chloro-11-nonylhenicosane
CID 154304707
11-chloro-11-decylpentacosane
CID 19690403

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-hydroxyundecanenitrile?
The IUPAC name of 3,3-dichloro-2-hydroxyundecanenitrile (CID 11107813) is 3,3-dichloro-2-hydroxyundecanenitrile.
What is the SMILES notation for 3,3-dichloro-2-hydroxyundecanenitrile?
The canonical SMILES for 3,3-dichloro-2-hydroxyundecanenitrile is CCCCCCCCC(Cl)(Cl)C(O)C#N.
What is the InChIKey of 3,3-dichloro-2-hydroxyundecanenitrile?
The InChIKey is KSSYCMGZAJDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-2-3-4-5-6-7-8-11(12,13)10(15)9-14/h10,15H,2-8H2,1H3.
What are the key properties of 3,3-dichloro-2-hydroxyundecanenitrile?
3,3-dichloro-2-hydroxyundecanenitrile has a molecular weight of 252.18 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-hydroxyundecanenitrile is sourced from PubChem (CID 11107813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).