2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene

C31H42 — CID 144526244

IUPAC2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
SMILESC=C(C/C=C(/C)C/C=C(\C)Cc1ccc(C)c(CC)c1)CCc1ccc(C)c(CC)c1
InChIInChI=1S/C31H42/c1-8-30-21-28(18-15-26(30)6)17-14-24(4)11-10-23(3)12-13-25(5)20-29-19-16-27(7)31(9-2)22-29/h10,13,15-16,18-19,21-22H,4,8-9,11-12,14,17,20H2,1-3,5-7H3/b23-10-,25-13+
InChIKeyLIWGBTPDVDKCAL-SPRUZLIUSA-N
MW414.68 g/mol
LogP8.83
Rot. Bonds11

About 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene

2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene (PubChem CID 144526244) has the molecular formula C31H42 and a molecular weight of 414.68 g/mol. Its IUPAC name is 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
PubChem CID144526244
Molecular FormulaC31H42
Molecular Weight414.68 g/mol
Exact Mass414.33
IUPAC Name2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
SMILESC=C(C/C=C(/C)C/C=C(\C)Cc1ccc(C)c(CC)c1)CCc1ccc(C)c(CC)c1
InChIInChI=1S/C31H42/c1-8-30-21-28(18-15-26(30)6)17-14-24(4)11-10-23(3)12-13-25(5)20-29-19-16-27(7)31(9-2)22-29/h10,13,15-16,18-19,21-22H,4,8-9,11-12,14,17,20H2,1-3,5-7H3/b23-10-,25-13+
InChIKeyLIWGBTPDVDKCAL-SPRUZLIUSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 58.83
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

2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
CID 144520544
(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
CID 146290680
1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
CID 142803791
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
(3Z)-1-(3-ethyl-4-methylphenyl)-5-methyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine;N-methyl-1-phenylethanimine
CID 143995489
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
4-(5-ethyl-2-methylphenyl)butan-2-imine
CID 137467922
2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
CID 155697638
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene?
The IUPAC name of 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene (CID 144526244) is 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene is C=C(C/C=C(/C)C/C=C(\C)Cc1ccc(C)c(CC)c1)CCc1ccc(C)c(CC)c1.
What is the InChIKey of 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene?
The InChIKey is LIWGBTPDVDKCAL-SPRUZLIUSA-N. The full InChI is InChI=1S/C31H42/c1-8-30-21-28(18-15-26(30)6)17-14-24(4)11-10-23(3)12-13-25(5)20-29-19-16-27(7)31(9-2)22-29/h10,13,15-16,18-19,21-22H,4,8-9,11-12,14,17,20H2,1-3,5-7H3/b23-10-,25-13+.
What are the key properties of 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene?
2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene has a molecular weight of 414.68 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene is sourced from PubChem (CID 144526244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).