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

C133H212 — CID 161234989

IUPAC1,2-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
SMILESCC(C)CCCc1cccc(C(C)C)c1.CC(C)CCCc1ccccc1CC(C)C.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1ccccc1CCC(C)C.CC(C)Cc1ccc(CC(C)C)cc1.CCCCc1ccccc1CC(C)C
InChIInChI=1S/2C16H26.3C15H24.4C14H22/c1-13(2)8-7-11-15-9-5-6-10-16(15)12-14(3)4;1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4;1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;2*1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;6,9-13H,5,7-8H2,1-4H3;2*5-7,11-13H,8-10H2,1-4H3;5-8,11-12H,9-10H2,1-4H3;2*7-12H,5-6H2,1-4H3;6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyUZGAXKQCKQVUFI-UHFFFAOYSA-N
MW1811.16 g/mol
LogP40.57
Rot. Bonds44

About 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

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 (PubChem CID 161234989) has the molecular formula C133H212 and a molecular weight of 1811.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID161234989
Molecular FormulaC133H212
Molecular Weight1811.16 g/mol
Exact Mass1809.66
IUPAC Name1,2-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
SMILESCC(C)CCCc1cccc(C(C)C)c1.CC(C)CCCc1ccccc1CC(C)C.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1ccccc1CCC(C)C.CC(C)Cc1ccc(CC(C)C)cc1.CCCCc1ccccc1CC(C)C
InChIInChI=1S/2C16H26.3C15H24.4C14H22/c1-13(2)8-7-11-15-9-5-6-10-16(15)12-14(3)4;1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4;1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;2*1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;6,9-13H,5,7-8H2,1-4H3;2*5-7,11-13H,8-10H2,1-4H3;5-8,11-12H,9-10H2,1-4H3;2*7-12H,5-6H2,1-4H3;6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyUZGAXKQCKQVUFI-UHFFFAOYSA-N
XLogP40.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001811.16
LogP ≤ 540.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCCc1cccc(C(C)C)c1.CC(C)CCCc1ccccc1CC(C)C.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1ccc(C(C)C)cc1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1cccc(CC(C)C)c1.CC(C)CCc1ccccc1CCC(C)C.CC(C)Cc1ccc(CC(C)C)cc1.CCCCc1ccccc1CC(C)C.
What is the InChIKey of 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?
The InChIKey is UZGAXKQCKQVUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26.3C15H24.4C14H22/c1-13(2)8-7-11-15-9-5-6-10-16(15)12-14(3)4;1-13(2)9-11-15-7-5-6-8-16(15)12-10-14(3)4;1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;2*1-12(2)8-9-14-6-5-7-15(11-14)10-13(3)4;1-11(2)9-13-5-7-14(8-6-13)10-12(3)4;2*1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-5-8-13-9-6-7-10-14(13)11-12(2)3/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;6,9-13H,5,7-8H2,1-4H3;2*5-7,11-13H,8-10H2,1-4H3;5-8,11-12H,9-10H2,1-4H3;2*7-12H,5-6H2,1-4H3;6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1811.16 g/mol, XLogP of 40.57, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161234989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).