6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol

C15H24BrClO — CID 74051798

IUPAC6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol
SMILESCC(C)=CC(O)CC(C)=C1CCC(C)(Br)C(Cl)C1
InChIInChI=1S/C15H24BrClO/c1-10(2)7-13(18)8-11(3)12-5-6-15(4,16)14(17)9-12/h7,13-14,18H,5-6,8-9H2,1-4H3
InChIKeyGXPMZNAWQXOPPN-UHFFFAOYSA-N
MW335.71 g/mol
LogP4.97
Rot. Bonds3

About 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol

6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol (PubChem CID 74051798) has the molecular formula C15H24BrClO and a molecular weight of 335.71 g/mol. Its IUPAC name is 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol.

Molecular Properties

Compound Name6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol
PubChem CID74051798
Molecular FormulaC15H24BrClO
Molecular Weight335.71 g/mol
Exact Mass334.07
IUPAC Name6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol
SMILESCC(C)=CC(O)CC(C)=C1CCC(C)(Br)C(Cl)C1
InChIInChI=1S/C15H24BrClO/c1-10(2)7-13(18)8-11(3)12-5-6-15(4,16)14(17)9-12/h7,13-14,18H,5-6,8-9H2,1-4H3
InChIKeyGXPMZNAWQXOPPN-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol?
The IUPAC name of 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol (CID 74051798) is 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol.
What is the SMILES notation for 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol?
The canonical SMILES for 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol is CC(C)=CC(O)CC(C)=C1CCC(C)(Br)C(Cl)C1.
What is the InChIKey of 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol?
The InChIKey is GXPMZNAWQXOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClO/c1-10(2)7-13(18)8-11(3)12-5-6-15(4,16)14(17)9-12/h7,13-14,18H,5-6,8-9H2,1-4H3.
What are the key properties of 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol?
6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol has a molecular weight of 335.71 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methylhept-2-en-4-ol is sourced from PubChem (CID 74051798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).