ethane;1-ethyl-4-propan-2-ylbenzene

C17H34 — CID 145053715

IUPACethane;1-ethyl-4-propan-2-ylbenzene
SMILESCC.CC.CC.CCc1ccc(C(C)C)cc1
InChIInChI=1S/C11H16.3C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;3*1-2/h5-9H,4H2,1-3H3;3*1-2H3
InChIKeyBIMAUWPSICXBEB-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.45
Rot. Bonds2

About ethane;1-ethyl-4-propan-2-ylbenzene

ethane;1-ethyl-4-propan-2-ylbenzene (PubChem CID 145053715) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;1-ethyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-propan-2-ylbenzene
PubChem CID145053715
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;1-ethyl-4-propan-2-ylbenzene
SMILESCC.CC.CC.CCc1ccc(C(C)C)cc1
InChIInChI=1S/C11H16.3C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;3*1-2/h5-9H,4H2,1-3H3;3*1-2H3
InChIKeyBIMAUWPSICXBEB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
cumene;ethylbenzene;methane
CID 159529846
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1,4-diethylbenzene;ethane;methane
CID 166131756
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;methanol
CID 159437304

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-ethyl-4-propan-2-ylbenzene (CID 145053715) is ethane;1-ethyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-ethyl-4-propan-2-ylbenzene is CC.CC.CC.CCc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;1-ethyl-4-propan-2-ylbenzene?
The InChIKey is BIMAUWPSICXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.3C2H6/c1-4-10-5-7-11(8-6-10)9(2)3;3*1-2/h5-9H,4H2,1-3H3;3*1-2H3.
What are the key properties of ethane;1-ethyl-4-propan-2-ylbenzene?
ethane;1-ethyl-4-propan-2-ylbenzene has a molecular weight of 238.46 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-propan-2-ylbenzene is sourced from PubChem (CID 145053715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).