1-chloro-4,4-dimethylpentane

C7H15Cl — CID 524245

IUPAC1-chloro-4,4-dimethylpentane
SMILESCC(C)(C)CCCCl
InChIInChI=1S/C7H15Cl/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3
InChIKeyLEQALULJXWQRKX-UHFFFAOYSA-N
MW134.65 g/mol
LogP3.05
Rot. Bonds2

About 1-chloro-4,4-dimethylpentane

1-chloro-4,4-dimethylpentane (PubChem CID 524245) has the molecular formula C7H15Cl and a molecular weight of 134.65 g/mol. Its IUPAC name is 1-chloro-4,4-dimethylpentane.

Molecular Properties

Compound Name1-chloro-4,4-dimethylpentane
PubChem CID524245
Molecular FormulaC7H15Cl
Molecular Weight134.65 g/mol
Exact Mass134.09
IUPAC Name1-chloro-4,4-dimethylpentane
SMILESCC(C)(C)CCCCl
InChIInChI=1S/C7H15Cl/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3
InChIKeyLEQALULJXWQRKX-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.65
LogP ≤ 53.05
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

CID 140686763
CID 140686763
4-bromo-1-chloro-4-methylpentane
CID 11344661
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
1-chloro-3,8,8-trimethylnonane
CID 170172988
CID 22558579
CID 22558579
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylhexane
CID 169424592
7-(3-chloropropyl)-7-methyltridecane
CID 135291324
tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
CID 14315819

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,4-dimethylpentane?
The IUPAC name of 1-chloro-4,4-dimethylpentane (CID 524245) is 1-chloro-4,4-dimethylpentane.
What is the SMILES notation for 1-chloro-4,4-dimethylpentane?
The canonical SMILES for 1-chloro-4,4-dimethylpentane is CC(C)(C)CCCCl.
What is the InChIKey of 1-chloro-4,4-dimethylpentane?
The InChIKey is LEQALULJXWQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3.
What are the key properties of 1-chloro-4,4-dimethylpentane?
1-chloro-4,4-dimethylpentane has a molecular weight of 134.65 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,4-dimethylpentane is sourced from PubChem (CID 524245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).