ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene

C17H30 — CID 90692106

IUPACethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
SMILESCC.Cc1cc(C)c(C(C)C)c(C(C)C)c1C
InChIInChI=1S/C15H24.C2H6/c1-9(2)14-12(6)8-11(5)13(7)15(14)10(3)4;1-2/h8-10H,1-7H3;1-2H3
InChIKeyZRNOILKWGXRNSE-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.88
Rot. Bonds2

About ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene

ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene (PubChem CID 90692106) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Nameethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
PubChem CID90692106
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
SMILESCC.Cc1cc(C)c(C(C)C)c(C(C)C)c1C
InChIInChI=1S/C15H24.C2H6/c1-9(2)14-12(6)8-11(5)13(7)15(14)10(3)4;1-2/h8-10H,1-7H3;1-2H3
InChIKeyZRNOILKWGXRNSE-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,6-trimethyl-3-propan-2-ylaniline
CID 121008425
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene
CID 161101106
1,2-ditert-butyl-5-methyl-3,4-di(propan-2-yl)benzene;ethane
CID 172608977
3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433601
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
2,3-dimethyl-5-propan-2-ylnaphthalene-1,6,7-triol
CID 144980912
5,6-dimethyl-4-propan-2-yl-2H-benzotriazole
CID 170676330
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene
CID 83148455
3-(1-chloro-3-methylpentyl)-1,2,4,5-tetramethylbenzene
CID 114876027
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene?
The IUPAC name of ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene (CID 90692106) is ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene.
What is the SMILES notation for ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene?
The canonical SMILES for ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene is CC.Cc1cc(C)c(C(C)C)c(C(C)C)c1C.
What is the InChIKey of ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene?
The InChIKey is ZRNOILKWGXRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C2H6/c1-9(2)14-12(6)8-11(5)13(7)15(14)10(3)4;1-2/h8-10H,1-7H3;1-2H3.
What are the key properties of ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene?
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene has a molecular weight of 234.43 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene is sourced from PubChem (CID 90692106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).