1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene

C18H22 — CID 144960137

IUPAC1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
SMILESCc1ccc(C/C=C\C=C2\C=CCCC2C)cc1
InChIInChI=1S/C18H22/c1-15-11-13-17(14-12-15)8-4-6-10-18-9-5-3-7-16(18)2/h4-6,9-14,16H,3,7-8H2,1-2H3/b6-4-,18-10-
InChIKeyNNWVUUPPIYBSBU-FMAFWKIXSA-N
MW238.37 g/mol
LogP5.01
Rot. Bonds3

About 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene

1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene (PubChem CID 144960137) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
PubChem CID144960137
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
SMILESCc1ccc(C/C=C\C=C2\C=CCCC2C)cc1
InChIInChI=1S/C18H22/c1-15-11-13-17(14-12-15)8-4-6-10-18-9-5-3-7-16(18)2/h4-6,9-14,16H,3,7-8H2,1-2H3/b6-4-,18-10-
InChIKeyNNWVUUPPIYBSBU-FMAFWKIXSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142080732
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1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
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1-(cyclopropylmethyl)-4-methylbenzene
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1-(cyclohexylmethyl)-4-methylbenzene
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1-hex-2-enyl-4-methylbenzene
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CID 161223242
1-methyl-4-(5-methylhex-2-enyl)benzene
CID 91610142
1-ethyl-4-methylbenzene;2-[(3E)-3-[(Z)-pent-2-enylidene]cyclobuten-1-yl]cyclohexa-1,3-diene
CID 142844937
1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 175740694
2-methyl-5-[(4-methylphenyl)methyl]oxane
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1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
CID 6445393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene?
The IUPAC name of 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene (CID 144960137) is 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene is Cc1ccc(C/C=C\C=C2\C=CCCC2C)cc1.
What is the InChIKey of 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene?
The InChIKey is NNWVUUPPIYBSBU-FMAFWKIXSA-N. The full InChI is InChI=1S/C18H22/c1-15-11-13-17(14-12-15)8-4-6-10-18-9-5-3-7-16(18)2/h4-6,9-14,16H,3,7-8H2,1-2H3/b6-4-,18-10-.
What are the key properties of 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene?
1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene has a molecular weight of 238.37 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene is sourced from PubChem (CID 144960137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).