1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene

C14H14 — CID 139888689

IUPAC1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene
SMILESCC1=CC(=C(C)c2ccccc2)C=C1
InChIInChI=1S/C14H14/c1-11-8-9-14(10-11)12(2)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyRMJOQSDYZBSVGZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.98
Rot. Bonds1

About 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene

1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene (PubChem CID 139888689) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene.

Molecular Properties

Compound Name1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene
PubChem CID139888689
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene
SMILESCC1=CC(=C(C)c2ccccc2)C=C1
InChIInChI=1S/C14H14/c1-11-8-9-14(10-11)12(2)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyRMJOQSDYZBSVGZ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-6-(1-phenylethylidene)cyclohexa-1,4-diene
CID 162298020
4-hydroxy-4-(3-methylcyclopenta-2,4-dien-1-ylidene)butan-2-one
CID 161026264
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
1-phenylethaneselone
CID 21319756
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
carbon monoxide;1-phenylethanone;toluene
CID 158914784
(7Z,8E)-7,8-bis(1-phenylethylidene)bicyclo[4.2.0]oct-1(6)-ene
CID 177383575
[(3-ethylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene;prop-1-ene
CID 143525147
acetic acid;1-phenylethanone
CID 159392478
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene?
The IUPAC name of 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene (CID 139888689) is 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene.
What is the SMILES notation for 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene?
The canonical SMILES for 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene is CC1=CC(=C(C)c2ccccc2)C=C1.
What is the InChIKey of 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene?
The InChIKey is RMJOQSDYZBSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-11-8-9-14(10-11)12(2)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene?
1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopenta-2,4-dien-1-ylidene)ethylbenzene is sourced from PubChem (CID 139888689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).