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

C16H28 — CID 145387685

IUPAC1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
SMILESCC.Cc1ccc(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C14H22.C2H6/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6;1-2/h7-10H,1-6H3;1-2H3
InChIKeyBMJBVFWWSDEOSN-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.58
Rot. Bonds2

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

1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane (PubChem CID 145387685) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane.

Molecular Properties

Compound Name1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
PubChem CID145387685
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
SMILESCC.Cc1ccc(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C14H22.C2H6/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6;1-2/h7-10H,1-6H3;1-2H3
InChIKeyBMJBVFWWSDEOSN-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane?
The IUPAC name of 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane (CID 145387685) is 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane.
What is the SMILES notation for 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane?
The canonical SMILES for 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane is CC.Cc1ccc(C(C)C)c(C)c1C(C)C.
What is the InChIKey of 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane?
The InChIKey is BMJBVFWWSDEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H6/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6;1-2/h7-10H,1-6H3;1-2H3.
What are the key properties of 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane?
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane has a molecular weight of 220.40 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane is sourced from PubChem (CID 145387685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).