1,3-dimethyl-5-propan-2-ylbenzene

C11H16 — CID 20833

IUPAC1,3-dimethyl-5-propan-2-ylbenzene
SMILESCc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
InChIKeyRMKJTYPFCFNTGQ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.43
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-ylbenzene

1,3-dimethyl-5-propan-2-ylbenzene (PubChem CID 20833) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylbenzene
PubChem CID20833
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,3-dimethyl-5-propan-2-ylbenzene
SMILESCc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
InChIKeyRMKJTYPFCFNTGQ-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzene?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzene (CID 20833) is 1,3-dimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylbenzene is Cc1cc(C)cc(C(C)C)c1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylbenzene?
The InChIKey is RMKJTYPFCFNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylbenzene?
1,3-dimethyl-5-propan-2-ylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 20833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).