5-ethylidene-6-methylcyclohexa-1,3-diene

C9H12 — CID 123649762

IUPAC5-ethylidene-6-methylcyclohexa-1,3-diene
SMILESCC=C1C=CC=CC1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-8H,1-2H3
InChIKeyWIAASRZDKDXORT-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds

About 5-ethylidene-6-methylcyclohexa-1,3-diene

5-ethylidene-6-methylcyclohexa-1,3-diene (PubChem CID 123649762) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 5-ethylidene-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylidene-6-methylcyclohexa-1,3-diene
PubChem CID123649762
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name5-ethylidene-6-methylcyclohexa-1,3-diene
SMILESCC=C1C=CC=CC1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-8H,1-2H3
InChIKeyWIAASRZDKDXORT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
CID 150471654
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
CID 174674334
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
CID 167045938
5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
CID 175271309
bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974
butane;(6E)-2-but-1-en-2-yl-6-ethylidene-5-methylcyclohexa-1,3-diene
CID 144672380
5-ethylidene-7-oxabicyclo[4.1.0]hepta-1,3-diene
CID 141234814
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143402617
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline
CID 175242222
4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
CID 57022662
4-methyl-2,4-dihydrocyclohepta[d]triazole
CID 143207550
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-6-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethylidene-6-methylcyclohexa-1,3-diene (CID 123649762) is 5-ethylidene-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylidene-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethylidene-6-methylcyclohexa-1,3-diene is CC=C1C=CC=CC1C.
What is the InChIKey of 5-ethylidene-6-methylcyclohexa-1,3-diene?
The InChIKey is WIAASRZDKDXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-8H,1-2H3.
What are the key properties of 5-ethylidene-6-methylcyclohexa-1,3-diene?
5-ethylidene-6-methylcyclohexa-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123649762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).