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

C12H18 — CID 7450

IUPAC1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
InChIKeyUNEATYXSUBPPKP-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.93
Rot. Bonds2

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

1,3-di(propan-2-yl)benzene (PubChem CID 7450) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene
PubChem CID7450
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
InChIKeyUNEATYXSUBPPKP-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene?
The IUPAC name of 1,3-di(propan-2-yl)benzene (CID 7450) is 1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene?
The canonical SMILES for 1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene?
The InChIKey is UNEATYXSUBPPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene?
1,3-di(propan-2-yl)benzene has a molecular weight of 162.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 7450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).