1,4-di(propan-2-yl)benzene;propylbenzene

C21H30 — CID 174543060

IUPAC1,4-di(propan-2-yl)benzene;propylbenzene
SMILESCC(C)c1ccc(C(C)C)cc1.CCCc1ccccc1
InChIInChI=1S/C12H18.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2-6-9-7-4-3-5-8-9/h5-10H,1-4H3;3-5,7-8H,2,6H2,1H3
InChIKeyYEAKBHXVJDIBKS-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.57
Rot. Bonds4

About 1,4-di(propan-2-yl)benzene;propylbenzene

1,4-di(propan-2-yl)benzene;propylbenzene (PubChem CID 174543060) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;propylbenzene.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;propylbenzene
PubChem CID174543060
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1,4-di(propan-2-yl)benzene;propylbenzene
SMILESCC(C)c1ccc(C(C)C)cc1.CCCc1ccccc1
InChIInChI=1S/C12H18.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2-6-9-7-4-3-5-8-9/h5-10H,1-4H3;3-5,7-8H,2,6H2,1H3
InChIKeyYEAKBHXVJDIBKS-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;ethane;methane;propylbenzene
CID 142505404
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
potassium;hydride;propylbenzene
CID 174749122
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
cumene;ethylbenzene;methane
CID 159529846
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
ethane;ethylbenzene;propylbenzene
CID 153343160
lithium;ethyne;propylbenzene
CID 174833014

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;propylbenzene?
The IUPAC name of 1,4-di(propan-2-yl)benzene;propylbenzene (CID 174543060) is 1,4-di(propan-2-yl)benzene;propylbenzene.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;propylbenzene?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;propylbenzene is CC(C)c1ccc(C(C)C)cc1.CCCc1ccccc1.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;propylbenzene?
The InChIKey is YEAKBHXVJDIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-2-6-9-7-4-3-5-8-9/h5-10H,1-4H3;3-5,7-8H,2,6H2,1H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;propylbenzene?
1,4-di(propan-2-yl)benzene;propylbenzene has a molecular weight of 282.47 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;propylbenzene is sourced from PubChem (CID 174543060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).