3-chloro-2,2-dimethylpentane

C7H15Cl — CID 13351497

IUPAC3-chloro-2,2-dimethylpentane
SMILESCCC(Cl)C(C)(C)C
InChIInChI=1S/C7H15Cl/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3
InChIKeyNPDQUDNBAUUFAD-UHFFFAOYSA-N
MW134.65 g/mol
LogP3.05
Rot. Bonds1

About 3-chloro-2,2-dimethylpentane

3-chloro-2,2-dimethylpentane (PubChem CID 13351497) has the molecular formula C7H15Cl and a molecular weight of 134.65 g/mol. Its IUPAC name is 3-chloro-2,2-dimethylpentane.

Molecular Properties

Compound Name3-chloro-2,2-dimethylpentane
PubChem CID13351497
Molecular FormulaC7H15Cl
Molecular Weight134.65 g/mol
Exact Mass134.09
IUPAC Name3-chloro-2,2-dimethylpentane
SMILESCCC(Cl)C(C)(C)C
InChIInChI=1S/C7H15Cl/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3
InChIKeyNPDQUDNBAUUFAD-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethylpentane?
The IUPAC name of 3-chloro-2,2-dimethylpentane (CID 13351497) is 3-chloro-2,2-dimethylpentane.
What is the SMILES notation for 3-chloro-2,2-dimethylpentane?
The canonical SMILES for 3-chloro-2,2-dimethylpentane is CCC(Cl)C(C)(C)C.
What is the InChIKey of 3-chloro-2,2-dimethylpentane?
The InChIKey is NPDQUDNBAUUFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl/c1-5-6(8)7(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-chloro-2,2-dimethylpentane?
3-chloro-2,2-dimethylpentane has a molecular weight of 134.65 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethylpentane is sourced from PubChem (CID 13351497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).