1,3-dimethyl-2,5-di(propan-2-yl)benzene

C14H22 — CID 59820900

IUPAC1,3-dimethyl-2,5-di(propan-2-yl)benzene
SMILESCc1cc(C(C)C)cc(C)c1C(C)C
InChIInChI=1S/C14H22/c1-9(2)13-7-11(5)14(10(3)4)12(6)8-13/h7-10H,1-6H3
InChIKeyWDFGUVPWPUJTMO-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.55
Rot. Bonds2

About 1,3-dimethyl-2,5-di(propan-2-yl)benzene

1,3-dimethyl-2,5-di(propan-2-yl)benzene (PubChem CID 59820900) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2,5-di(propan-2-yl)benzene
PubChem CID59820900
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,3-dimethyl-2,5-di(propan-2-yl)benzene
SMILESCc1cc(C(C)C)cc(C)c1C(C)C
InChIInChI=1S/C14H22/c1-9(2)13-7-11(5)14(10(3)4)12(6)8-13/h7-10H,1-6H3
InChIKeyWDFGUVPWPUJTMO-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,5-di(propan-2-yl)benzene?
The IUPAC name of 1,3-dimethyl-2,5-di(propan-2-yl)benzene (CID 59820900) is 1,3-dimethyl-2,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1,3-dimethyl-2,5-di(propan-2-yl)benzene?
The canonical SMILES for 1,3-dimethyl-2,5-di(propan-2-yl)benzene is Cc1cc(C(C)C)cc(C)c1C(C)C.
What is the InChIKey of 1,3-dimethyl-2,5-di(propan-2-yl)benzene?
The InChIKey is WDFGUVPWPUJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9(2)13-7-11(5)14(10(3)4)12(6)8-13/h7-10H,1-6H3.
What are the key properties of 1,3-dimethyl-2,5-di(propan-2-yl)benzene?
1,3-dimethyl-2,5-di(propan-2-yl)benzene has a molecular weight of 190.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-di(propan-2-yl)benzene is sourced from PubChem (CID 59820900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).