2-chloro-1-methyl-3-methylidenecyclohexene

C8H11Cl — CID 21138318

IUPAC2-chloro-1-methyl-3-methylidenecyclohexene
SMILESC=C1CCCC(C)=C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h1,3-5H2,2H3
InChIKeyIUAGEWIDVJWXAY-UHFFFAOYSA-N
MW142.63 g/mol
LogP3.24
Rot. Bonds

About 2-chloro-1-methyl-3-methylidenecyclohexene

2-chloro-1-methyl-3-methylidenecyclohexene (PubChem CID 21138318) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-methylidenecyclohexene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-methylidenecyclohexene
PubChem CID21138318
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name2-chloro-1-methyl-3-methylidenecyclohexene
SMILESC=C1CCCC(C)=C1Cl
InChIInChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h1,3-5H2,2H3
InChIKeyIUAGEWIDVJWXAY-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Chloromyrcene
CID 23247410
1-(1-Chlorovinyl)cyclohexene
CID 129802961
1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
CID 18737557
2,6-Dichloro-7-methyl-3-methylideneocta-1,6-diene
CID 23426906
4-Chloro-1-ethyl-5-fluorocyclohexa-1,3-diene
CID 91603435
4-Chloro-1-ethyl-2-fluorocyclohexa-1,3-diene
CID 123572246
1-Chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
CID 123638268
1-Chloro-5-fluoro-3-propylcyclohexa-1,3-diene
CID 143614403
1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene
CID 25016136
1-Chloro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
CID 134888268
1-(1,2,2-Trichloroethenyl)cyclohexene
CID 12858430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-methylidenecyclohexene?
The IUPAC name of 2-chloro-1-methyl-3-methylidenecyclohexene (CID 21138318) is 2-chloro-1-methyl-3-methylidenecyclohexene.
What is the SMILES notation for 2-chloro-1-methyl-3-methylidenecyclohexene?
The canonical SMILES for 2-chloro-1-methyl-3-methylidenecyclohexene is C=C1CCCC(C)=C1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-methylidenecyclohexene?
The InChIKey is IUAGEWIDVJWXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-6-4-3-5-7(2)8(6)9/h1,3-5H2,2H3.
What are the key properties of 2-chloro-1-methyl-3-methylidenecyclohexene?
2-chloro-1-methyl-3-methylidenecyclohexene has a molecular weight of 142.63 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-methylidenecyclohexene is sourced from PubChem (CID 21138318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).