3,3-dichloro-3-cyclohexylpropan-1-ol

C9H16Cl2O — CID 70420396

IUPAC3,3-dichloro-3-cyclohexylpropan-1-ol
SMILESOCCC(Cl)(Cl)C1CCCCC1
InChIInChI=1S/C9H16Cl2O/c10-9(11,6-7-12)8-4-2-1-3-5-8/h8,12H,1-7H2
InChIKeyFWDFDZHFIXOWLM-UHFFFAOYSA-N
MW211.13 g/mol
LogP3.12
Rot. Bonds3

About 3,3-dichloro-3-cyclohexylpropan-1-ol

3,3-dichloro-3-cyclohexylpropan-1-ol (PubChem CID 70420396) has the molecular formula C9H16Cl2O and a molecular weight of 211.13 g/mol. Its IUPAC name is 3,3-dichloro-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name3,3-dichloro-3-cyclohexylpropan-1-ol
PubChem CID70420396
Molecular FormulaC9H16Cl2O
Molecular Weight211.13 g/mol
Exact Mass210.06
IUPAC Name3,3-dichloro-3-cyclohexylpropan-1-ol
SMILESOCCC(Cl)(Cl)C1CCCCC1
InChIInChI=1S/C9H16Cl2O/c10-9(11,6-7-12)8-4-2-1-3-5-8/h8,12H,1-7H2
InChIKeyFWDFDZHFIXOWLM-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dicyclohexylpentane-1,5-diol
CID 22179017
2-cyclohexylpropane-1,2,3-triol
CID 102037318
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 22666726
4-amino-3-cyclobutyl-3-methylbutan-1-ol
CID 131219729
5-chloro-3-(2-chloroethyl)-3-cyclohexylpentanamide
CID 57272063
4-cycloheptylheptan-4-ol
CID 114866126
tricyclohexylmethylsilane
CID 71348621
3-cyclopropyl-3,3-difluoropropan-1-ol
CID 105427883
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
2-cyclohexylpentan-2-ol
CID 75245103

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-3-cyclohexylpropan-1-ol?
The IUPAC name of 3,3-dichloro-3-cyclohexylpropan-1-ol (CID 70420396) is 3,3-dichloro-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 3,3-dichloro-3-cyclohexylpropan-1-ol?
The canonical SMILES for 3,3-dichloro-3-cyclohexylpropan-1-ol is OCCC(Cl)(Cl)C1CCCCC1.
What is the InChIKey of 3,3-dichloro-3-cyclohexylpropan-1-ol?
The InChIKey is FWDFDZHFIXOWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2O/c10-9(11,6-7-12)8-4-2-1-3-5-8/h8,12H,1-7H2.
What are the key properties of 3,3-dichloro-3-cyclohexylpropan-1-ol?
3,3-dichloro-3-cyclohexylpropan-1-ol has a molecular weight of 211.13 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 70420396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).