2-chloro-5-methylhexan-3-ol

C7H15ClO — CID 116863615

IUPAC2-chloro-5-methylhexan-3-ol
SMILESCC(C)CC(O)C(C)Cl
InChIInChI=1S/C7H15ClO/c1-5(2)4-7(9)6(3)8/h5-7,9H,4H2,1-3H3
InChIKeyIQNSKPVXWJBMFP-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.02
Rot. Bonds3

About 2-chloro-5-methylhexan-3-ol

2-chloro-5-methylhexan-3-ol (PubChem CID 116863615) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 2-chloro-5-methylhexan-3-ol.

Molecular Properties

Compound Name2-chloro-5-methylhexan-3-ol
PubChem CID116863615
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name2-chloro-5-methylhexan-3-ol
SMILESCC(C)CC(O)C(C)Cl
InChIInChI=1S/C7H15ClO/c1-5(2)4-7(9)6(3)8/h5-7,9H,4H2,1-3H3
InChIKeyIQNSKPVXWJBMFP-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

(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425
(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(2S)-1-(dimethylamino)-4-methylpentane-1,2-diol
CID 166674176
1,1,4,5-tetrachlorohexan-2-ol
CID 87756371
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-8-methylnonan-2-one
CID 159890436
(5-hydroxy-2,7-dimethyloctan-4-yl) acetate
CID 141029389
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188
2,6-dimethylheptane-1,3,4-triol
CID 123372157
1-cyclopropyl-4-methylpentane-1,2-diol
CID 103456758
(2S,3R)-2-fluoro-5-methylhexane-1,3-diol
CID 134933849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylhexan-3-ol?
The IUPAC name of 2-chloro-5-methylhexan-3-ol (CID 116863615) is 2-chloro-5-methylhexan-3-ol.
What is the SMILES notation for 2-chloro-5-methylhexan-3-ol?
The canonical SMILES for 2-chloro-5-methylhexan-3-ol is CC(C)CC(O)C(C)Cl.
What is the InChIKey of 2-chloro-5-methylhexan-3-ol?
The InChIKey is IQNSKPVXWJBMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-5(2)4-7(9)6(3)8/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-chloro-5-methylhexan-3-ol?
2-chloro-5-methylhexan-3-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 2-chloro-5-methylhexan-3-ol is sourced from PubChem (CID 116863615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).