3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one

C13H24O — CID 165006917

IUPAC3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one
SMILESCCCC1CC1(C(C)C)C(C)C(C)=O
InChIInChI=1S/C13H24O/c1-6-7-12-8-13(12,9(2)3)10(4)11(5)14/h9-10,12H,6-8H2,1-5H3
InChIKeySIDCAPRJTRKQPQ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds5

About 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one

3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one (PubChem CID 165006917) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one.

Molecular Properties

Compound Name3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one
PubChem CID165006917
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one
SMILESCCCC1CC1(C(C)C)C(C)C(C)=O
InChIInChI=1S/C13H24O/c1-6-7-12-8-13(12,9(2)3)10(4)11(5)14/h9-10,12H,6-8H2,1-5H3
InChIKeySIDCAPRJTRKQPQ-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one
CID 164822537
1,1-dibromo-2-propylcyclopropane
CID 13198577
N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
CID 89087951
1-(3-methylbutyl)-2-propylcyclopropan-1-ol
CID 79332942
(1-amino-2-propylcyclopropyl) acetate
CID 174614626
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
1-(1-cyclopropylethyl)-2-propylcyclopropan-1-ol
CID 83150275
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
2-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
2-propylspiro[2.2]pentane
CID 549029
4-methyl-3-propan-2-yl-2-propyltricyclo[2.1.0.01,3]pentane
CID 123510764
1-phenoxy-2-propylcyclopropane-1-carboxylic acid
CID 121269494

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one?
The IUPAC name of 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one (CID 165006917) is 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one.
What is the SMILES notation for 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one?
The canonical SMILES for 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one is CCCC1CC1(C(C)C)C(C)C(C)=O.
What is the InChIKey of 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one?
The InChIKey is SIDCAPRJTRKQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-12-8-13(12,9(2)3)10(4)11(5)14/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one?
3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one has a molecular weight of 196.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one is sourced from PubChem (CID 165006917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).