4-(2-chloroethylidene)heptane

C9H17Cl — CID 24974624

IUPAC4-(2-chloroethylidene)heptane
SMILESCCCC(=CCCl)CCC
InChIInChI=1S/C9H17Cl/c1-3-5-9(6-4-2)7-8-10/h7H,3-6,8H2,1-2H3
InChIKeyLPLPRWZLYHKHIJ-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds5

About 4-(2-chloroethylidene)heptane

4-(2-chloroethylidene)heptane (PubChem CID 24974624) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 4-(2-chloroethylidene)heptane.

Molecular Properties

Compound Name4-(2-chloroethylidene)heptane
PubChem CID24974624
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name4-(2-chloroethylidene)heptane
SMILESCCCC(=CCCl)CCC
InChIInChI=1S/C9H17Cl/c1-3-5-9(6-4-2)7-8-10/h7H,3-6,8H2,1-2H3
InChIKeyLPLPRWZLYHKHIJ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylidene)heptane?
The IUPAC name of 4-(2-chloroethylidene)heptane (CID 24974624) is 4-(2-chloroethylidene)heptane.
What is the SMILES notation for 4-(2-chloroethylidene)heptane?
The canonical SMILES for 4-(2-chloroethylidene)heptane is CCCC(=CCCl)CCC.
What is the InChIKey of 4-(2-chloroethylidene)heptane?
The InChIKey is LPLPRWZLYHKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-5-9(6-4-2)7-8-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-chloroethylidene)heptane?
4-(2-chloroethylidene)heptane has a molecular weight of 160.69 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylidene)heptane is sourced from PubChem (CID 24974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).