1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene

C30H48 — CID 158814859

IUPAC1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
SMILESCC(C)CCc1ccc(CC(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1
InChIInChI=1S/2C15H24/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3;5-7,11-13H,8-10H2,1-4H3
InChIKeyIVDFZAKEJRALQW-UHFFFAOYSA-N
MW408.71 g/mol
LogP8.95
Rot. Bonds10

About 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene

1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene (PubChem CID 158814859) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
PubChem CID158814859
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
SMILESCC(C)CCc1ccc(CC(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1
InChIInChI=1S/2C15H24/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3;5-7,11-13H,8-10H2,1-4H3
InChIKeyIVDFZAKEJRALQW-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
1-[3-(2-methylpropyl)phenyl]hexan-3-amine
CID 116545725
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1,2-bis(3-methylbutyl)benzene;1,4-bis(2-methylpropyl)benzene;1-butyl-2-(2-methylpropyl)benzene;bis(1-(3-methylbutyl)-3-(2-methylpropyl)benzene);bis(1-(3-methylbutyl)-4-propan-2-ylbenzene);1-(4-methylpentyl)-2-(2-methylpropyl)benzene;1-(4-methylpentyl)-3-propan-2-ylbenzene
CID 161234989
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
4-[3-(2-methylpropyl)phenyl]butan-2-one
CID 116545690
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
ethene;3-methylbutylbenzene
CID 145421013
(2S)-2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]-4-phenylbutane-1,2-diamine
CID 58597984
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene (CID 158814859) is 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene is CC(C)CCc1ccc(CC(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene?
The InChIKey is IVDFZAKEJRALQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24/c1-12(2)5-6-14-7-9-15(10-8-14)11-13(3)4;1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3;5-7,11-13H,8-10H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene?
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene has a molecular weight of 408.71 g/mol, XLogP of 8.95, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 158814859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).