1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene

C27H32 — CID 10808216

IUPAC1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene
SMILESC=C(C(c1ccc(C)cc1)c1ccc(C)cc1)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C27H32/c1-17-9-13-24(14-10-17)26(25-15-11-18(2)12-16-25)23(7)27(8)21(5)19(3)20(4)22(27)6/h9-16,26H,7H2,1-6,8H3
InChIKeyAEVVZGCMGINGHS-UHFFFAOYSA-N
MW356.55 g/mol
LogP7.68
Rot. Bonds4

About 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene

1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene (PubChem CID 10808216) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene
PubChem CID10808216
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene
SMILESC=C(C(c1ccc(C)cc1)c1ccc(C)cc1)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C27H32/c1-17-9-13-24(14-10-17)26(25-15-11-18(2)12-16-25)23(7)27(8)21(5)19(3)20(4)22(27)6/h9-16,26H,7H2,1-6,8H3
InChIKeyAEVVZGCMGINGHS-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2,3-dichloro-1,4,4-tris(4-methylphenyl)but-2-enyl]-4-methylbenzene
CID 134884797
1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
2-(4-methylphenyl)propanedial
CID 2736930
2,2-bis(4-methylphenyl)acetaldehyde
CID 10867935
propan-2-yl 2-[hydroxy-(4-methylphenyl)methyl]prop-2-enoate
CID 15507734
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene?
The IUPAC name of 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene (CID 10808216) is 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene?
The canonical SMILES for 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene is C=C(C(c1ccc(C)cc1)c1ccc(C)cc1)C1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene?
The InChIKey is AEVVZGCMGINGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-17-9-13-24(14-10-17)26(25-15-11-18(2)12-16-25)23(7)27(8)21(5)19(3)20(4)22(27)6/h9-16,26H,7H2,1-6,8H3.
What are the key properties of 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene?
1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene has a molecular weight of 356.55 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4-methylphenyl)-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)prop-2-enyl]benzene is sourced from PubChem (CID 10808216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).