1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene

C28H38 — CID 176975102

IUPAC1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene
SMILESC=C(C)CCCC(CCc1ccccc1C)Cc1ccc(CC)c(C(=C)C)c1
InChIInChI=1S/C28H38/c1-7-26-17-16-25(20-28(26)22(4)5)19-24(13-10-11-21(2)3)15-18-27-14-9-8-12-23(27)6/h8-9,12,14,16-17,20,24H,2,4,7,10-11,13,15,18-19H2,1,3,5-6H3
InChIKeyKOIHSSKYIYWNMG-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.13
Rot. Bonds11

About 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene

1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene (PubChem CID 176975102) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene
PubChem CID176975102
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene
SMILESC=C(C)CCCC(CCc1ccccc1C)Cc1ccc(CC)c(C(=C)C)c1
InChIInChI=1S/C28H38/c1-7-26-17-16-25(20-28(26)22(4)5)19-24(13-10-11-21(2)3)15-18-27-14-9-8-12-23(27)6/h8-9,12,14,16-17,20,24H,2,4,7,10-11,13,15,18-19H2,1,3,5-6H3
InChIKeyKOIHSSKYIYWNMG-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.13
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-(3,6-dimethylhept-6-enyl)-2-methylbenzene
CID 176975448
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
CID 134955292
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
6-methyl-1-(2-methylphenyl)hept-6-en-3-one
CID 105129887
1-ethyl-4-[(3Z)-5-methyl-3-(2-methylphenyl)hexa-3,5-dienyl]-2-prop-1-en-2-ylbenzene;N-[3-methyl-3-(methylamino)pent-1-en-2-yl]formamide
CID 143510100
4-(2-cyclopropylethyl)-1-ethyl-2-prop-1-en-2-ylbenzene
CID 143183881
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
CID 169131564
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
3-[3-[2-chloro-5-[2-ethyl-4-(2-methylphenyl)butyl]phenyl]butyl]-2-methylcyclohex-2-en-1-one
CID 123945637

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene (CID 176975102) is 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene is C=C(C)CCCC(CCc1ccccc1C)Cc1ccc(CC)c(C(=C)C)c1.
What is the InChIKey of 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene?
The InChIKey is KOIHSSKYIYWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38/c1-7-26-17-16-25(20-28(26)22(4)5)19-24(13-10-11-21(2)3)15-18-27-14-9-8-12-23(27)6/h8-9,12,14,16-17,20,24H,2,4,7,10-11,13,15,18-19H2,1,3,5-6H3.
What are the key properties of 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene?
1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene has a molecular weight of 374.61 g/mol, XLogP of 8.13, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-methyl-2-[2-(2-methylphenyl)ethyl]hept-6-enyl]-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 176975102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).