1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene

C9H11Cl — CID 123234884

IUPAC1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene
SMILESC=C1CC=CC(C)=C(Cl)C1
InChIInChI=1S/C9H11Cl/c1-7-4-3-5-8(2)9(10)6-7/h3,5H,1,4,6H2,2H3
InChIKeyDPBUMVWZJNGXOT-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.41
Rot. Bonds

About 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene

1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene (PubChem CID 123234884) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene.

Molecular Properties

Compound Name1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene
PubChem CID123234884
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene
SMILESC=C1CC=CC(C)=C(Cl)C1
InChIInChI=1S/C9H11Cl/c1-7-4-3-5-8(2)9(10)6-7/h3,5H,1,4,6H2,2H3
InChIKeyDPBUMVWZJNGXOT-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
CID 174756791
5-methylidenecyclohex-2-ene-1-thione
CID 123673709
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
2-methylidenecyclopent-3-en-1-one
CID 15805386
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
CID 19936951
1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040
4-[2-(2-methyl-4-methylidenecyclohepta-1,6-dien-1-yl)ethyl]cycloheptan-1-imine
CID 123166349
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene?
The IUPAC name of 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene (CID 123234884) is 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene.
What is the SMILES notation for 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene?
The canonical SMILES for 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene is C=C1CC=CC(C)=C(Cl)C1.
What is the InChIKey of 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene?
The InChIKey is DPBUMVWZJNGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl/c1-7-4-3-5-8(2)9(10)6-7/h3,5H,1,4,6H2,2H3.
What are the key properties of 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene?
1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene has a molecular weight of 154.64 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-6-methylidenecyclohepta-1,3-diene is sourced from PubChem (CID 123234884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).