4-chloro-3-methylheptane

C8H17Cl — CID 54215050

IUPAC4-chloro-3-methylheptane
SMILESCCCC(Cl)C(C)CC
InChIInChI=1S/C8H17Cl/c1-4-6-8(9)7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYMTWHGOWVWMILT-UHFFFAOYSA-N
MW148.68 g/mol
LogP3.44
Rot. Bonds4

About 4-chloro-3-methylheptane

4-chloro-3-methylheptane (PubChem CID 54215050) has the molecular formula C8H17Cl and a molecular weight of 148.68 g/mol. Its IUPAC name is 4-chloro-3-methylheptane.

Molecular Properties

Compound Name4-chloro-3-methylheptane
PubChem CID54215050
Molecular FormulaC8H17Cl
Molecular Weight148.68 g/mol
Exact Mass148.10
IUPAC Name4-chloro-3-methylheptane
SMILESCCCC(Cl)C(C)CC
InChIInChI=1S/C8H17Cl/c1-4-6-8(9)7(3)5-2/h7-8H,4-6H2,1-3H3
InChIKeyYMTWHGOWVWMILT-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.68
LogP ≤ 53.44
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

(3R)-3,4-dimethylheptane
CID 59819300
4-chloro-5-methylundecane
CID 83051980
(4R)-3-bromo-4-chloroheptane
CID 138653502
3-chloro-2-nitrosohexane
CID 24821132
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
3-methylheptan-4-ylphosphane
CID 178108210
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
ethoxyethane;1,2,3-trichlorohexane
CID 89439403
3-chloro-4-methylhexadecane
CID 63560129
3,4,9-trimethyl-8-propylundecane
CID 90901381
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylheptane?
The IUPAC name of 4-chloro-3-methylheptane (CID 54215050) is 4-chloro-3-methylheptane.
What is the SMILES notation for 4-chloro-3-methylheptane?
The canonical SMILES for 4-chloro-3-methylheptane is CCCC(Cl)C(C)CC.
What is the InChIKey of 4-chloro-3-methylheptane?
The InChIKey is YMTWHGOWVWMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl/c1-4-6-8(9)7(3)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-chloro-3-methylheptane?
4-chloro-3-methylheptane has a molecular weight of 148.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylheptane is sourced from PubChem (CID 54215050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).