1-chloro-2-methylpropane

C4H9Cl — CID 10554

IUPAC1-chloro-2-methylpropane
SMILESCC(C)CCl
InChIInChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyQTBFPMKWQKYFLR-UHFFFAOYSA-N
MW92.57 g/mol
LogP1.88
Rot. Bonds1

About 1-chloro-2-methylpropane

1-chloro-2-methylpropane (PubChem CID 10554) has the molecular formula C4H9Cl and a molecular weight of 92.57 g/mol. Its IUPAC name is 1-chloro-2-methylpropane.

Molecular Properties

Compound Name1-chloro-2-methylpropane
PubChem CID10554
Molecular FormulaC4H9Cl
Molecular Weight92.57 g/mol
Exact Mass92.04
IUPAC Name1-chloro-2-methylpropane
SMILESCC(C)CCl
InChIInChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyQTBFPMKWQKYFLR-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.57
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chlorobutane
CID 6563
1-Chloro-2,2-dimethylpropane
CID 12956
1-Chloro-3-methylbutane
CID 7893
1-Chloro-2-methylbutane
CID 12015
2-Chloro-3-methylbutane
CID 522085
(S)-(+)-1-Chloro-2-methylbutane
CID 12431745
1,1-Dichloroisobutane
CID 11664
1,3-Dichloro-2-methylbutane
CID 31613
1,3-Dichloro-2-methylpropane
CID 69218
1,4-Dichloro-2-methylbutane
CID 543860
3-Chloro-2-methylpentane
CID 142259
1-Chloro-2,3-dimethylbutane
CID 521910

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropane?
The IUPAC name of 1-chloro-2-methylpropane (CID 10554) is 1-chloro-2-methylpropane.
What is the SMILES notation for 1-chloro-2-methylpropane?
The canonical SMILES for 1-chloro-2-methylpropane is CC(C)CCl.
What is the InChIKey of 1-chloro-2-methylpropane?
The InChIKey is QTBFPMKWQKYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3.
What are the key properties of 1-chloro-2-methylpropane?
1-chloro-2-methylpropane has a molecular weight of 92.57 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylpropane is sourced from PubChem (CID 10554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).