(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene

C9H12 — CID 169152065

IUPAC(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
SMILESC/C=C1\CC=CC=C1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-6H,7H2,1-2H3/b9-3+
InChIKeyWUJJXACWZIEINM-YCRREMRBSA-N
MW120.19 g/mol
LogP2.84
Rot. Bonds

About (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene

(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene (PubChem CID 169152065) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
PubChem CID169152065
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
SMILESC/C=C1\CC=CC=C1C
InChIInChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-6H,7H2,1-2H3/b9-3+
InChIKeyWUJJXACWZIEINM-YCRREMRBSA-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

1-methyl-6-(phenoxymethylidene)cyclohexa-1,3-diene
CID 173376499
1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
CID 141424828
acetic acid;6-ethylidenecyclohexa-1,3-diene-1-carboxylic acid
CID 67725909
1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 121009040
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
N-[(Z)-[(7E)-2-methyl-7-propylidenecyclohepta-2,4-dien-1-ylidene]amino]methanamine
CID 130391047
(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 172985783
(6E)-6-[(Z)-but-2-enylidene]cyclohexa-1,3-dien-1-ol
CID 142173984
5-ethylidene-1-methylcyclopentene
CID 123192916
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
1-methylcyclopenta-1,3-diene;platinum
CID 158937285

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene?
The IUPAC name of (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene (CID 169152065) is (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene?
The canonical SMILES for (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene is C/C=C1\CC=CC=C1C.
What is the InChIKey of (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene?
The InChIKey is WUJJXACWZIEINM-YCRREMRBSA-N. The full InChI is InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h3-6H,7H2,1-2H3/b9-3+.
What are the key properties of (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene?
(6E)-6-ethylidene-1-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 (6E)-6-ethylidene-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 169152065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).