(5R)-4,5-dichloro-1-methylcyclohexene

C7H10Cl2 — CID 118474866

IUPAC(5R)-4,5-dichloro-1-methylcyclohexene
SMILESCC1=CCC(Cl)[C@H](Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3/t6?,7-/m1/s1
InChIKeyYGGHHZYDSZSVFO-COBSHVIPSA-N
MW165.06 g/mol
LogP2.94
Rot. Bonds

About (5R)-4,5-dichloro-1-methylcyclohexene

(5R)-4,5-dichloro-1-methylcyclohexene (PubChem CID 118474866) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is (5R)-4,5-dichloro-1-methylcyclohexene.

Molecular Properties

Compound Name(5R)-4,5-dichloro-1-methylcyclohexene
PubChem CID118474866
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name(5R)-4,5-dichloro-1-methylcyclohexene
SMILESCC1=CCC(Cl)[C@H](Cl)C1
InChIInChI=1S/C7H10Cl2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3/t6?,7-/m1/s1
InChIKeyYGGHHZYDSZSVFO-COBSHVIPSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 52.94
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 (5R)-4,5-dichloro-1-methylcyclohexene?
The IUPAC name of (5R)-4,5-dichloro-1-methylcyclohexene (CID 118474866) is (5R)-4,5-dichloro-1-methylcyclohexene.
What is the SMILES notation for (5R)-4,5-dichloro-1-methylcyclohexene?
The canonical SMILES for (5R)-4,5-dichloro-1-methylcyclohexene is CC1=CCC(Cl)[C@H](Cl)C1.
What is the InChIKey of (5R)-4,5-dichloro-1-methylcyclohexene?
The InChIKey is YGGHHZYDSZSVFO-COBSHVIPSA-N. The full InChI is InChI=1S/C7H10Cl2/c1-5-2-3-6(8)7(9)4-5/h2,6-7H,3-4H2,1H3/t6?,7-/m1/s1.
What are the key properties of (5R)-4,5-dichloro-1-methylcyclohexene?
(5R)-4,5-dichloro-1-methylcyclohexene has a molecular weight of 165.06 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5-dichloro-1-methylcyclohexene is sourced from PubChem (CID 118474866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).