1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene

C21H34 — CID 143696320

IUPAC1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene
SMILESC=C(CC(C)C)c1c(C)cc(C)c(CCC(C)CC)c1C
InChIInChI=1S/C21H34/c1-9-15(4)10-11-20-16(5)13-18(7)21(19(20)8)17(6)12-14(2)3/h13-15H,6,9-12H2,1-5,7-8H3
InChIKeyWLOYAQPDKLFHLO-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.65
Rot. Bonds7

About 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene

1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene (PubChem CID 143696320) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene
PubChem CID143696320
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene
SMILESC=C(CC(C)C)c1c(C)cc(C)c(CCC(C)CC)c1C
InChIInChI=1S/C21H34/c1-9-15(4)10-11-20-16(5)13-18(7)21(19(20)8)17(6)12-14(2)3/h13-15H,6,9-12H2,1-5,7-8H3
InChIKeyWLOYAQPDKLFHLO-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3-fluoro-5-methyl-4-[(3S)-3-methylpentyl]phenyl]boronic acid
CID 58807415
3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol
CID 129164549
2,4,6-trimethyl-3-propylbenzamide
CID 57035510
3-[4-(3-carboxy-2,4,6-trimethylphenyl)butyl]-2,4,6-trimethylbenzoic acid
CID 101483124
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
CID 58807411
3,5-ditert-butyl-2-(3-methylpentyl)benzene-1,4-diamine
CID 175244658
2,6-dimethyl-4-methylideneoctane
CID 12567282
3-(1-chloro-3-methylpentyl)-1,2,4,5-tetramethylbenzene
CID 114876027
1-(2,3,5,6-tetramethylphenyl)pentan-3-amine
CID 82472484
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
N,3-dimethyl-4-(3-methylpentyl)benzamide
CID 165142506
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene (CID 143696320) is 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene is C=C(CC(C)C)c1c(C)cc(C)c(CCC(C)CC)c1C.
What is the InChIKey of 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene?
The InChIKey is WLOYAQPDKLFHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-9-15(4)10-11-20-16(5)13-18(7)21(19(20)8)17(6)12-14(2)3/h13-15H,6,9-12H2,1-5,7-8H3.
What are the key properties of 1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene?
1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene has a molecular weight of 286.50 g/mol, XLogP of 6.65, 7 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-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene is sourced from PubChem (CID 143696320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).