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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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).