butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one

C20H34O2 — CID 143890723

IUPACbutan-2-one;1-ethyl-2-propylbenzene;pentan-2-one
SMILESCCC(C)=O.CCCC(C)=O.CCCc1ccccc1CC
InChIInChI=1S/C11H16.C5H10O.C4H8O/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-4-5(2)6;1-3-4(2)5/h5-6,8-9H,3-4,7H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyUQFGFGLQIXBCAH-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.56
Rot. Bonds6

About butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one

butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one (PubChem CID 143890723) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one.

Molecular Properties

Compound Namebutan-2-one;1-ethyl-2-propylbenzene;pentan-2-one
PubChem CID143890723
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Namebutan-2-one;1-ethyl-2-propylbenzene;pentan-2-one
SMILESCCC(C)=O.CCCC(C)=O.CCCc1ccccc1CC
InChIInChI=1S/C11H16.C5H10O.C4H8O/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-4-5(2)6;1-3-4(2)5/h5-6,8-9H,3-4,7H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyUQFGFGLQIXBCAH-UHFFFAOYSA-N
XLogP5.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one?
The IUPAC name of butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one (CID 143890723) is butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one.
What is the SMILES notation for butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one?
The canonical SMILES for butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one is CCC(C)=O.CCCC(C)=O.CCCc1ccccc1CC.
What is the InChIKey of butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one?
The InChIKey is UQFGFGLQIXBCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C5H10O.C4H8O/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-4-5(2)6;1-3-4(2)5/h5-6,8-9H,3-4,7H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one?
butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one has a molecular weight of 306.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one is sourced from PubChem (CID 143890723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).