1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol

C15H27Cl3O — CID 154198602

IUPAC1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)CC(C)(C)C1CCC(O)(C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C15H27Cl3O/c1-12(2,3)10-13(4,5)11-6-8-14(19,9-7-11)15(16,17)18/h11,19H,6-10H2,1-5H3
InChIKeyRGFIOPMGYXCIKT-UHFFFAOYSA-N
MW329.74 g/mol
LogP5.74
Rot. Bonds2

About 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol

1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol (PubChem CID 154198602) has the molecular formula C15H27Cl3O and a molecular weight of 329.74 g/mol. Its IUPAC name is 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol
PubChem CID154198602
Molecular FormulaC15H27Cl3O
Molecular Weight329.74 g/mol
Exact Mass328.11
IUPAC Name1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)CC(C)(C)C1CCC(O)(C(Cl)(Cl)Cl)CC1
InChIInChI=1S/C15H27Cl3O/c1-12(2,3)10-13(4,5)11-6-8-14(19,9-7-11)15(16,17)18/h11,19H,6-10H2,1-5H3
InChIKeyRGFIOPMGYXCIKT-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.74
LogP ≤ 55.74
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 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol (CID 154198602) is 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol is CC(C)(C)CC(C)(C)C1CCC(O)(C(Cl)(Cl)Cl)CC1.
What is the InChIKey of 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol?
The InChIKey is RGFIOPMGYXCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl3O/c1-12(2,3)10-13(4,5)11-6-8-14(19,9-7-11)15(16,17)18/h11,19H,6-10H2,1-5H3.
What are the key properties of 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol?
1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol has a molecular weight of 329.74 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethyl)-4-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 154198602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).