6-chloro-2,4,4-trimethylhexan-2-ol

C9H19ClO — CID 88929339

IUPAC6-chloro-2,4,4-trimethylhexan-2-ol
SMILESCC(C)(O)CC(C)(C)CCCl
InChIInChI=1S/C9H19ClO/c1-8(2,5-6-10)7-9(3,4)11/h11H,5-7H2,1-4H3
InChIKeyIBPZDFQNFFSACY-UHFFFAOYSA-N
MW178.70 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-2,4,4-trimethylhexan-2-ol

6-chloro-2,4,4-trimethylhexan-2-ol (PubChem CID 88929339) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is 6-chloro-2,4,4-trimethylhexan-2-ol.

Molecular Properties

Compound Name6-chloro-2,4,4-trimethylhexan-2-ol
PubChem CID88929339
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name6-chloro-2,4,4-trimethylhexan-2-ol
SMILESCC(C)(O)CC(C)(C)CCCl
InChIInChI=1S/C9H19ClO/c1-8(2,5-6-10)7-9(3,4)11/h11H,5-7H2,1-4H3
InChIKeyIBPZDFQNFFSACY-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 52.80
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-chloro-3-methylpentan-3-ol
CID 537896
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
1-chloro-5-methoxy-3,3,5-trimethylheptane
CID 123782872
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
1,5-dichloropentane-3,3-diol
CID 139889710
dichloromethane;2-methylpropan-2-ol
CID 18914702
3,5,5-trimethyloctan-3-ol
CID 123781250
boric acid;bis(2,4-dimethylpentane-2,4-diol)
CID 158108058
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
4-chloro-N-[(2,6-dimethylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 106139903
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4,4-trimethylhexan-2-ol?
The IUPAC name of 6-chloro-2,4,4-trimethylhexan-2-ol (CID 88929339) is 6-chloro-2,4,4-trimethylhexan-2-ol.
What is the SMILES notation for 6-chloro-2,4,4-trimethylhexan-2-ol?
The canonical SMILES for 6-chloro-2,4,4-trimethylhexan-2-ol is CC(C)(O)CC(C)(C)CCCl.
What is the InChIKey of 6-chloro-2,4,4-trimethylhexan-2-ol?
The InChIKey is IBPZDFQNFFSACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO/c1-8(2,5-6-10)7-9(3,4)11/h11H,5-7H2,1-4H3.
What are the key properties of 6-chloro-2,4,4-trimethylhexan-2-ol?
6-chloro-2,4,4-trimethylhexan-2-ol has a molecular weight of 178.70 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4,4-trimethylhexan-2-ol is sourced from PubChem (CID 88929339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).