7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene

C16H18Cl2 — CID 134231111

IUPAC7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene
SMILESClCC1=C(c2ccc(Cl)cc2)CC2(CCC2)CC1
InChIInChI=1S/C16H18Cl2/c17-11-13-6-9-16(7-1-8-16)10-15(13)12-2-4-14(18)5-3-12/h2-5H,1,6-11H2
InChIKeyRXZVRJQMSDQDGZ-UHFFFAOYSA-N
MW281.23 g/mol
LogP5.69
Rot. Bonds2

About 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene

7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene (PubChem CID 134231111) has the molecular formula C16H18Cl2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene.

Molecular Properties

Compound Name7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene
PubChem CID134231111
Molecular FormulaC16H18Cl2
Molecular Weight281.23 g/mol
Exact Mass280.08
IUPAC Name7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene
SMILESClCC1=C(c2ccc(Cl)cc2)CC2(CCC2)CC1
InChIInChI=1S/C16H18Cl2/c17-11-13-6-9-16(7-1-8-16)10-15(13)12-2-4-14(18)5-3-12/h2-5H,1,6-11H2
InChIKeyRXZVRJQMSDQDGZ-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.23
LogP ≤ 55.69
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 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene?
The IUPAC name of 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene (CID 134231111) is 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene.
What is the SMILES notation for 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene?
The canonical SMILES for 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene is ClCC1=C(c2ccc(Cl)cc2)CC2(CCC2)CC1.
What is the InChIKey of 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene?
The InChIKey is RXZVRJQMSDQDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2/c17-11-13-6-9-16(7-1-8-16)10-15(13)12-2-4-14(18)5-3-12/h2-5H,1,6-11H2.
What are the key properties of 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene?
7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene has a molecular weight of 281.23 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene is sourced from PubChem (CID 134231111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).