4-chloro-3-methylhexan-2-ol

C7H15ClO — CID 18920939

IUPAC4-chloro-3-methylhexan-2-ol
SMILESCCC(Cl)C(C)C(C)O
InChIInChI=1S/C7H15ClO/c1-4-7(8)5(2)6(3)9/h5-7,9H,4H2,1-3H3
InChIKeyWTYAMFBBLYVCRP-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.02
Rot. Bonds3

About 4-chloro-3-methylhexan-2-ol

4-chloro-3-methylhexan-2-ol (PubChem CID 18920939) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 4-chloro-3-methylhexan-2-ol.

Molecular Properties

Compound Name4-chloro-3-methylhexan-2-ol
PubChem CID18920939
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name4-chloro-3-methylhexan-2-ol
SMILESCCC(Cl)C(C)C(C)O
InChIInChI=1S/C7H15ClO/c1-4-7(8)5(2)6(3)9/h5-7,9H,4H2,1-3H3
InChIKeyWTYAMFBBLYVCRP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

2-chlorobutane-1,1-diol
CID 22482679
3-methylhexane-2,4-diol
CID 22245660
(2R,3R)-2,3-dichloropentane
CID 6431009
1,1,2-trichlorobutane
CID 19865249
ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
(1S)-1-chloropropane-1,2-diol
CID 57125002
(2R)-3-nitropentan-2-ol
CID 57147135
2-methylbutane;3-methylbutan-2-ol
CID 87553210
(2S,3R)-3-methylpentan-2-ol
CID 6993006
CID 157498325
CID 157498325
aluminum butan-2-ol
CID 23623700
pentakis(butan-2-ol);molybdenum
CID 152613437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylhexan-2-ol?
The IUPAC name of 4-chloro-3-methylhexan-2-ol (CID 18920939) is 4-chloro-3-methylhexan-2-ol.
What is the SMILES notation for 4-chloro-3-methylhexan-2-ol?
The canonical SMILES for 4-chloro-3-methylhexan-2-ol is CCC(Cl)C(C)C(C)O.
What is the InChIKey of 4-chloro-3-methylhexan-2-ol?
The InChIKey is WTYAMFBBLYVCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-4-7(8)5(2)6(3)9/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-chloro-3-methylhexan-2-ol?
4-chloro-3-methylhexan-2-ol has a molecular weight of 150.65 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylhexan-2-ol is sourced from PubChem (CID 18920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).