2-chloro-4-methylpentan-1-ol

C6H13ClO — CID 13050114

IUPAC2-chloro-4-methylpentan-1-ol
SMILESCC(C)CC(Cl)CO
InChIInChI=1S/C6H13ClO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyFJTMLWKJHKXEJL-UHFFFAOYSA-N
MW136.62 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-4-methylpentan-1-ol

2-chloro-4-methylpentan-1-ol (PubChem CID 13050114) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is 2-chloro-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-chloro-4-methylpentan-1-ol
PubChem CID13050114
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name2-chloro-4-methylpentan-1-ol
SMILESCC(C)CC(Cl)CO
InChIInChI=1S/C6H13ClO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyFJTMLWKJHKXEJL-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 51.63
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

chloroform;2-methylpropan-1-ol
CID 22625576
2-chloro-4-methylheptan-1-ol
CID 175124867
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
2,6-dimethylheptane-1,3,4-triol
CID 123372157
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpentan-1-ol?
The IUPAC name of 2-chloro-4-methylpentan-1-ol (CID 13050114) is 2-chloro-4-methylpentan-1-ol.
What is the SMILES notation for 2-chloro-4-methylpentan-1-ol?
The canonical SMILES for 2-chloro-4-methylpentan-1-ol is CC(C)CC(Cl)CO.
What is the InChIKey of 2-chloro-4-methylpentan-1-ol?
The InChIKey is FJTMLWKJHKXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-methylpentan-1-ol?
2-chloro-4-methylpentan-1-ol has a molecular weight of 136.62 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpentan-1-ol is sourced from PubChem (CID 13050114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).