1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene

C23H30 — CID 101417332

IUPAC1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene
SMILESCCCC=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30/c1-8-9-10-21(22-17(4)11-15(2)12-18(22)5)23-19(6)13-16(3)14-20(23)7/h10-14H,8-9H2,1-7H3
InChIKeyFIFLJBUGOMIREU-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.77
Rot. Bonds4

About 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene

1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene (PubChem CID 101417332) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene
PubChem CID101417332
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene
SMILESCCCC=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30/c1-8-9-10-21(22-17(4)11-15(2)12-18(22)5)23-19(6)13-16(3)14-20(23)7/h10-14H,8-9H2,1-7H3
InChIKeyFIFLJBUGOMIREU-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene (CID 101417332) is 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene is CCCC=C(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene?
The InChIKey is FIFLJBUGOMIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-8-9-10-21(22-17(4)11-15(2)12-18(22)5)23-19(6)13-16(3)14-20(23)7/h10-14H,8-9H2,1-7H3.
What are the key properties of 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene?
1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene has a molecular weight of 306.49 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene is sourced from PubChem (CID 101417332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).