2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane

C18H34 — CID 176709600

IUPAC2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
SMILESCC.CCC.CCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H20.C3H8.C2H6/c1-6-10(3)13-11(4)7-9(2)8-12(13)5;1-3-2;1-2/h7-8,10H,6H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyPYFSRMJHPNUYGY-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.57
Rot. Bonds2

About 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane

2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane (PubChem CID 176709600) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane.

Molecular Properties

Compound Name2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
PubChem CID176709600
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
SMILESCC.CCC.CCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H20.C3H8.C2H6/c1-6-10(3)13-11(4)7-9(2)8-12(13)5;1-3-2;1-2/h7-8,10H,6H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyPYFSRMJHPNUYGY-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
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ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
4-butan-2-yl-3-chloro-5-methylphenol;ethane
CID 169182138
2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane
CID 145389725
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
CID 83928273
(4-butan-2-yl-3,5-dimethylphenyl) acetate
CID 158728022
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane?
The IUPAC name of 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane (CID 176709600) is 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane.
What is the SMILES notation for 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane?
The canonical SMILES for 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane is CC.CCC.CCC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane?
The InChIKey is PYFSRMJHPNUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C3H8.C2H6/c1-6-10(3)13-11(4)7-9(2)8-12(13)5;1-3-2;1-2/h7-8,10H,6H2,1-5H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane?
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane has a molecular weight of 250.47 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane is sourced from PubChem (CID 176709600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).