1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene

C11H14 — CID 145377797

IUPAC1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC1=C(C=C)CC(C)C=C1
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyPGSNPHRQVJSOKF-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.25
Rot. Bonds2

About 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene

1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene (PubChem CID 145377797) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
PubChem CID145377797
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
SMILESC=CC1=C(C=C)CC(C)C=C1
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyPGSNPHRQVJSOKF-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene (CID 145377797) is 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene is C=CC1=C(C=C)CC(C)C=C1.
What is the InChIKey of 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is PGSNPHRQVJSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4-7,9H,1-2,8H2,3H3.
What are the key properties of 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene?
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 145377797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).