2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane

C9H15Cl5 — CID 88732149

IUPAC2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane
SMILESCC(Cl)CC(Cl)(CCCl)C(Cl)C(C)Cl
InChIInChI=1S/C9H15Cl5/c1-6(11)5-9(14,3-4-10)8(13)7(2)12/h6-8H,3-5H2,1-2H3
InChIKeyBJMFCOUULQONBL-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.84
Rot. Bonds6

About 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane

2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane (PubChem CID 88732149) has the molecular formula C9H15Cl5 and a molecular weight of 300.48 g/mol. Its IUPAC name is 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane.

Molecular Properties

Compound Name2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane
PubChem CID88732149
Molecular FormulaC9H15Cl5
Molecular Weight300.48 g/mol
Exact Mass297.96
IUPAC Name2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane
SMILESCC(Cl)CC(Cl)(CCCl)C(Cl)C(C)Cl
InChIInChI=1S/C9H15Cl5/c1-6(11)5-9(14,3-4-10)8(13)7(2)12/h6-8H,3-5H2,1-2H3
InChIKeyBJMFCOUULQONBL-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.84
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-chloro-5-methoxy-3,3-dimethylhexane
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bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1,2-dichloropropane;titanium
CID 88762967
1-chloro-3-ethyl-3,5-dimethylhexane
CID 123958572
1,3,3,5-tetrachlorononane
CID 12537315
2,6-dichloro-2,3,3-trimethylheptane
CID 89224094
(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane
CID 173121476
1-bromo-1,1,3-trichloropropane
CID 14366603
1,2,4-trichloro-2-(chloromethyl)butane
CID 54355811

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane?
The IUPAC name of 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane (CID 88732149) is 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane.
What is the SMILES notation for 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane?
The canonical SMILES for 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane is CC(Cl)CC(Cl)(CCCl)C(Cl)C(C)Cl.
What is the InChIKey of 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane?
The InChIKey is BJMFCOUULQONBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl5/c1-6(11)5-9(14,3-4-10)8(13)7(2)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane?
2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane has a molecular weight of 300.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachloro-4-(2-chloroethyl)heptane is sourced from PubChem (CID 88732149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).