2,2,3,3-tetrachloroheptane

C7H12Cl4 — CID 54246303

IUPAC2,2,3,3-tetrachloroheptane
SMILESCCCCC(Cl)(Cl)C(C)(Cl)Cl
InChIInChI=1S/C7H12Cl4/c1-3-4-5-7(10,11)6(2,8)9/h3-5H2,1-2H3
InChIKeyQTMVKVMQGULTIX-UHFFFAOYSA-N
MW237.98 g/mol
LogP4.54
Rot. Bonds4

About 2,2,3,3-tetrachloroheptane

2,2,3,3-tetrachloroheptane (PubChem CID 54246303) has the molecular formula C7H12Cl4 and a molecular weight of 237.98 g/mol. Its IUPAC name is 2,2,3,3-tetrachloroheptane.

Molecular Properties

Compound Name2,2,3,3-tetrachloroheptane
PubChem CID54246303
Molecular FormulaC7H12Cl4
Molecular Weight237.98 g/mol
Exact Mass235.97
IUPAC Name2,2,3,3-tetrachloroheptane
SMILESCCCCC(Cl)(Cl)C(C)(Cl)Cl
InChIInChI=1S/C7H12Cl4/c1-3-4-5-7(10,11)6(2,8)9/h3-5H2,1-2H3
InChIKeyQTMVKVMQGULTIX-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.98
LogP ≤ 54.54
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

(4R)-4-chloro-4-methyloctane
CID 129374949
2-chloro-2-methylhexane;cyclobutane
CID 175373010
2,2-dimethylhexane
CID 169424592
2,6-dichloro-2,6-dimethyldecane
CID 139809322
(3-butyl-3-chloro-2-methylheptan-2-yl)silane
CID 123537188
5-chlorononan-5-amine
CID 88596915
1-chloropentane-1,1-diamine
CID 175198933
1,1,1,2,2,3,3-heptachloroundecane
CID 170849896
azane;2,2-dimethylhexane
CID 161105081
2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
azane;5-butyl-5-chlorodecane
CID 88839636

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrachloroheptane?
The IUPAC name of 2,2,3,3-tetrachloroheptane (CID 54246303) is 2,2,3,3-tetrachloroheptane.
What is the SMILES notation for 2,2,3,3-tetrachloroheptane?
The canonical SMILES for 2,2,3,3-tetrachloroheptane is CCCCC(Cl)(Cl)C(C)(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachloroheptane?
The InChIKey is QTMVKVMQGULTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl4/c1-3-4-5-7(10,11)6(2,8)9/h3-5H2,1-2H3.
What are the key properties of 2,2,3,3-tetrachloroheptane?
2,2,3,3-tetrachloroheptane has a molecular weight of 237.98 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachloroheptane is sourced from PubChem (CID 54246303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).