5-ethylidene-2-methylcyclohexa-1,3-diene

C9H12 — CID 136594960

IUPAC5-ethylidene-2-methylcyclohexa-1,3-diene
SMILESCC=C1C=CC(C)=CC1
InChIInChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h3-6H,7H2,1-2H3
InChIKeyCMTVEPYVYZYBKZ-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About 5-ethylidene-2-methylcyclohexa-1,3-diene

5-ethylidene-2-methylcyclohexa-1,3-diene (PubChem CID 136594960) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 5-ethylidene-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylidene-2-methylcyclohexa-1,3-diene
PubChem CID136594960
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name5-ethylidene-2-methylcyclohexa-1,3-diene
SMILESCC=C1C=CC(C)=CC1
InChIInChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h3-6H,7H2,1-2H3
InChIKeyCMTVEPYVYZYBKZ-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

(E,1E)-1-(4-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
CID 138632935
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
CID 13057529
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
N-imidazolidin-2-yl-4-methylcyclohexa-2,4-dien-1-imine
CID 68785279
[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol
CID 67806158
1,3-dimethylcyclopenta-1,3-diene;zirconium
CID 73422733
5-methyl-3H-azepine
CID 54476230
(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene
CID 22993244
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-2-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethylidene-2-methylcyclohexa-1,3-diene (CID 136594960) is 5-ethylidene-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylidene-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethylidene-2-methylcyclohexa-1,3-diene is CC=C1C=CC(C)=CC1.
What is the InChIKey of 5-ethylidene-2-methylcyclohexa-1,3-diene?
The InChIKey is CMTVEPYVYZYBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h3-6H,7H2,1-2H3.
What are the key properties of 5-ethylidene-2-methylcyclohexa-1,3-diene?
5-ethylidene-2-methylcyclohexa-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 136594960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).