6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene

C10H15Cl — CID 12814395

IUPAC6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(Cl)C1
InChIInChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3
InChIKeyGRROGOVISQZGNO-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds1

About 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene

6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 12814395) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID12814395
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(Cl)C1
InChIInChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3
InChIKeyGRROGOVISQZGNO-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
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 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 12814395) is 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)C(Cl)C1.
What is the InChIKey of 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is GRROGOVISQZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-10H,1,5-6H2,2-3H3.
What are the key properties of 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene?
6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 12814395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).