2-chloro-2-methylhexan-3-ol

C7H15ClO — CID 130124789

IUPAC2-chloro-2-methylhexan-3-ol
SMILESCCCC(O)C(C)(C)Cl
InChIInChI=1S/C7H15ClO/c1-4-5-6(9)7(2,3)8/h6,9H,4-5H2,1-3H3
InChIKeyKHRYSQFDNUJGON-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-2-methylhexan-3-ol

2-chloro-2-methylhexan-3-ol (PubChem CID 130124789) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 2-chloro-2-methylhexan-3-ol.

Molecular Properties

Compound Name2-chloro-2-methylhexan-3-ol
PubChem CID130124789
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name2-chloro-2-methylhexan-3-ol
SMILESCCCC(O)C(C)(C)Cl
InChIInChI=1S/C7H15ClO/c1-4-5-6(9)7(2,3)8/h6,9H,4-5H2,1-3H3
InChIKeyKHRYSQFDNUJGON-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.16
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

(3R)-2,2-dimethylhexan-3-ol
CID 7004855
1,1,2,2-tetrachlorohexan-3-ol
CID 71360035
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
methyl (3S)-2,2-dichloro-3-hydroxyhexanoate
CID 12034294
(3-hydroxy-2-methylhexan-2-yl)phosphonic acid
CID 174829705
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
2-hydroxypentane-1,1,1-tricarboxylic acid
CID 175083274
2,2-diethylhexane-1,3-diol
CID 19373836
4,4-diethyloctane-3,5-diol
CID 67160941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylhexan-3-ol?
The IUPAC name of 2-chloro-2-methylhexan-3-ol (CID 130124789) is 2-chloro-2-methylhexan-3-ol.
What is the SMILES notation for 2-chloro-2-methylhexan-3-ol?
The canonical SMILES for 2-chloro-2-methylhexan-3-ol is CCCC(O)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2-methylhexan-3-ol?
The InChIKey is KHRYSQFDNUJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-4-5-6(9)7(2,3)8/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-chloro-2-methylhexan-3-ol?
2-chloro-2-methylhexan-3-ol has a molecular weight of 150.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylhexan-3-ol is sourced from PubChem (CID 130124789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).