1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene

C24H30 — CID 142844937

IUPAC1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene
SMILESCC/C=C\C=C1\C=C(C2=CCCC=C2)C1.CCc1ccc(C)cc1
InChIInChI=1S/C15H18.C9H12/c1-2-3-5-8-13-11-15(12-13)14-9-6-4-7-10-14;1-3-9-6-4-8(2)5-7-9/h3,5-6,8-11H,2,4,7,12H2,1H3;4-7H,3H2,1-2H3/b5-3-,13-8-;
InChIKeyIIMPLTVKBACDPS-RYEOZVRCSA-N
MW318.50 g/mol
LogP7.04
Rot. Bonds4

About 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene

1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene (PubChem CID 142844937) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene
PubChem CID142844937
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene
SMILESCC/C=C\C=C1\C=C(C2=CCCC=C2)C1.CCc1ccc(C)cc1
InChIInChI=1S/C15H18.C9H12/c1-2-3-5-8-13-11-15(12-13)14-9-6-4-7-10-14;1-3-9-6-4-8(2)5-7-9/h3,5-6,8-11H,2,4,7,12H2,1H3;4-7H,3H2,1-2H3/b5-3-,13-8-;
InChIKeyIIMPLTVKBACDPS-RYEOZVRCSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570
CID 174113391
CID 174113391
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol
CID 146462269
2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
CID 144691952
1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
CID 144960137
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-cyclohexa-1,5-dien-1-yl-4-(iodomethyl)benzene
CID 70308724
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene (CID 142844937) is 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene is CC/C=C\C=C1\C=C(C2=CCCC=C2)C1.CCc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene?
The InChIKey is IIMPLTVKBACDPS-RYEOZVRCSA-N. The full InChI is InChI=1S/C15H18.C9H12/c1-2-3-5-8-13-11-15(12-13)14-9-6-4-7-10-14;1-3-9-6-4-8(2)5-7-9/h3,5-6,8-11H,2,4,7,12H2,1H3;4-7H,3H2,1-2H3/b5-3-,13-8-;.
What are the key properties of 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene?
1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene has a molecular weight of 318.50 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 142844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).