[5-methyl-3-(2-phenylethenylidene)hexyl]benzene

C21H24 — CID 176549541

IUPAC[5-methyl-3-(2-phenylethenylidene)hexyl]benzene
SMILESCC(C)CC(=C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H24/c1-18(2)17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-13,18H,14,16-17H2,1-2H3
InChIKeyIJVKSMDSCXZDNX-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.90
Rot. Bonds6

About [5-methyl-3-(2-phenylethenylidene)hexyl]benzene

[5-methyl-3-(2-phenylethenylidene)hexyl]benzene (PubChem CID 176549541) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is [5-methyl-3-(2-phenylethenylidene)hexyl]benzene.

Molecular Properties

Compound Name[5-methyl-3-(2-phenylethenylidene)hexyl]benzene
PubChem CID176549541
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name[5-methyl-3-(2-phenylethenylidene)hexyl]benzene
SMILESCC(C)CC(=C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H24/c1-18(2)17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-13,18H,14,16-17H2,1-2H3
InChIKeyIJVKSMDSCXZDNX-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-diphenylpenta-1,2-dien-3-ylbenzene
CID 134978580
(3-ethyl-5-phenylpenta-1,2-dienyl)-trimethylsilane
CID 51349622
(4-methyl-1-phenylpenta-1,2-dien-3-yl)benzene
CID 10633480
[(4E)-3-methylhexa-1,2,4-trienyl]benzene
CID 53467438
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
CID 158709876
CID 158709876
(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
CID 71428200
4-(difluoromethylidene)-6-phenylhexan-2-ol
CID 134988046
4-bromo-1-phenylpentan-3-one
CID 121216753
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42702375
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
6-amino-5-methyl-1-phenylhexan-3-one
CID 116596581

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(2-phenylethenylidene)hexyl]benzene?
The IUPAC name of [5-methyl-3-(2-phenylethenylidene)hexyl]benzene (CID 176549541) is [5-methyl-3-(2-phenylethenylidene)hexyl]benzene.
What is the SMILES notation for [5-methyl-3-(2-phenylethenylidene)hexyl]benzene?
The canonical SMILES for [5-methyl-3-(2-phenylethenylidene)hexyl]benzene is CC(C)CC(=C=Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of [5-methyl-3-(2-phenylethenylidene)hexyl]benzene?
The InChIKey is IJVKSMDSCXZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-18(2)17-21(15-13-19-9-5-3-6-10-19)16-14-20-11-7-4-8-12-20/h3-13,18H,14,16-17H2,1-2H3.
What are the key properties of [5-methyl-3-(2-phenylethenylidene)hexyl]benzene?
[5-methyl-3-(2-phenylethenylidene)hexyl]benzene has a molecular weight of 276.42 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(2-phenylethenylidene)hexyl]benzene is sourced from PubChem (CID 176549541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).