2-ethenylcyclohepta-1,3,5-triene

C9H10 — CID 15567395

IUPAC2-ethenylcyclohepta-1,3,5-triene
SMILESC=CC1=CCC=CC=C1
InChIInChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-5,7-8H,1,6H2
InChIKeyMGARKMCTVPOSEY-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.61
Rot. Bonds1

About 2-ethenylcyclohepta-1,3,5-triene

2-ethenylcyclohepta-1,3,5-triene (PubChem CID 15567395) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-ethenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethenylcyclohepta-1,3,5-triene
PubChem CID15567395
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name2-ethenylcyclohepta-1,3,5-triene
SMILESC=CC1=CCC=CC=C1
InChIInChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-5,7-8H,1,6H2
InChIKeyMGARKMCTVPOSEY-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Cycloheptatriene
CID 11000
Alloocimene, (4E,6Z)-
CID 5371125
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467

Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclohepta-1,3,5-triene?
The IUPAC name of 2-ethenylcyclohepta-1,3,5-triene (CID 15567395) is 2-ethenylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-ethenylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-ethenylcyclohepta-1,3,5-triene is C=CC1=CCC=CC=C1.
What is the InChIKey of 2-ethenylcyclohepta-1,3,5-triene?
The InChIKey is MGARKMCTVPOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-5,7-8H,1,6H2.
What are the key properties of 2-ethenylcyclohepta-1,3,5-triene?
2-ethenylcyclohepta-1,3,5-triene has a molecular weight of 118.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 15567395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).