1,1,2,2,3,4,5-heptachloropentane

C5H5Cl7 — CID 174383953

IUPAC1,1,2,2,3,4,5-heptachloropentane
SMILESClCC(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C5H5Cl7/c6-1-2(7)3(8)5(11,12)4(9)10/h2-4H,1H2
InChIKeyFNIKVMLWLHOJDQ-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.42
Rot. Bonds4

About 1,1,2,2,3,4,5-heptachloropentane

1,1,2,2,3,4,5-heptachloropentane (PubChem CID 174383953) has the molecular formula C5H5Cl7 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1,1,2,2,3,4,5-heptachloropentane.

Molecular Properties

Compound Name1,1,2,2,3,4,5-heptachloropentane
PubChem CID174383953
Molecular FormulaC5H5Cl7
Molecular Weight313.27 g/mol
Exact Mass309.82
IUPAC Name1,1,2,2,3,4,5-heptachloropentane
SMILESClCC(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C5H5Cl7/c6-1-2(7)3(8)5(11,12)4(9)10/h2-4H,1H2
InChIKeyFNIKVMLWLHOJDQ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.42
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

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1,2,3,4-tetrachlorobutane
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4-bromo-1,1,2,2,3-pentachlorobutane
CID 87770727
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235
1,2,3-trichloro-1-(chloromethoxy)propane
CID 88829524
2,3,4-trichlorobutane-1,1-diol
CID 118276207
1,2,3,4-tetrachloropentane
CID 14572537
1,1,2,2-tetrachlorohexan-3-ol
CID 71360035
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 173499864
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
2,4-dichloro-1,1,1,3-tetrafluorobutane
CID 54422561

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5-heptachloropentane?
The IUPAC name of 1,1,2,2,3,4,5-heptachloropentane (CID 174383953) is 1,1,2,2,3,4,5-heptachloropentane.
What is the SMILES notation for 1,1,2,2,3,4,5-heptachloropentane?
The canonical SMILES for 1,1,2,2,3,4,5-heptachloropentane is ClCC(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2,3,4,5-heptachloropentane?
The InChIKey is FNIKVMLWLHOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl7/c6-1-2(7)3(8)5(11,12)4(9)10/h2-4H,1H2.
What are the key properties of 1,1,2,2,3,4,5-heptachloropentane?
1,1,2,2,3,4,5-heptachloropentane has a molecular weight of 313.27 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5-heptachloropentane is sourced from PubChem (CID 174383953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).