2-ethenyl-1-methylcyclohexa-1,3-diene

C9H12 — CID 134973454

IUPAC2-ethenyl-1-methylcyclohexa-1,3-diene
SMILESC=CC1=C(C)CCC=C1
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3,5,7H,1,4,6H2,2H3
InChIKeyQVPMIQZBLKQKQC-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds1

About 2-ethenyl-1-methylcyclohexa-1,3-diene

2-ethenyl-1-methylcyclohexa-1,3-diene (PubChem CID 134973454) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-ethenyl-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethenyl-1-methylcyclohexa-1,3-diene
PubChem CID134973454
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name2-ethenyl-1-methylcyclohexa-1,3-diene
SMILESC=CC1=C(C)CCC=C1
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3,5,7H,1,4,6H2,2H3
InChIKeyQVPMIQZBLKQKQC-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Vinylcyclohexene
CID 17497
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1-Methyl-1,3-cyclopentadiene
CID 66775

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-ethenyl-1-methylcyclohexa-1,3-diene (CID 134973454) is 2-ethenyl-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethenyl-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethenyl-1-methylcyclohexa-1,3-diene is C=CC1=C(C)CCC=C1.
What is the InChIKey of 2-ethenyl-1-methylcyclohexa-1,3-diene?
The InChIKey is QVPMIQZBLKQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 2-ethenyl-1-methylcyclohexa-1,3-diene?
2-ethenyl-1-methylcyclohexa-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 134973454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).