1-(1-octylcyclopropyl)ethanone

C13H24O — CID 22042371

IUPAC1-(1-octylcyclopropyl)ethanone
SMILESCCCCCCCCC1(C(C)=O)CC1
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-13(10-11-13)12(2)14/h3-11H2,1-2H3
InChIKeySDLWDHQJSKLZKH-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.11
Rot. Bonds8

About 1-(1-octylcyclopropyl)ethanone

1-(1-octylcyclopropyl)ethanone (PubChem CID 22042371) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(1-octylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(1-octylcyclopropyl)ethanone
PubChem CID22042371
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(1-octylcyclopropyl)ethanone
SMILESCCCCCCCCC1(C(C)=O)CC1
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-13(10-11-13)12(2)14/h3-11H2,1-2H3
InChIKeySDLWDHQJSKLZKH-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-decylcyclobutane-1-carboxamide
CID 10037267
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-butylcyclopropane-1-carbonyl chloride
CID 54546667
1-[1-(4,4,4-trifluorobutyl)cyclopropyl]ethanone
CID 106797132
1-[1-(2-propoxyethyl)cyclopropyl]ethanone
CID 106797086
1-[4-[4-[6-(1-acetylcyclopropyl)hexyl]phenyl]butyl]cyclopropane-1-carboxylic acid
CID 164595037
1-pentylcyclohexane-1-carboxylate
CID 22407698
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
1-[6-[2-[6-(1-acetylcyclopropyl)hexyl]phenyl]hexyl]cyclopropane-1-carboxylic acid
CID 164595174

Frequently Asked Questions

What is the IUPAC name of 1-(1-octylcyclopropyl)ethanone?
The IUPAC name of 1-(1-octylcyclopropyl)ethanone (CID 22042371) is 1-(1-octylcyclopropyl)ethanone.
What is the SMILES notation for 1-(1-octylcyclopropyl)ethanone?
The canonical SMILES for 1-(1-octylcyclopropyl)ethanone is CCCCCCCCC1(C(C)=O)CC1.
What is the InChIKey of 1-(1-octylcyclopropyl)ethanone?
The InChIKey is SDLWDHQJSKLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-13(10-11-13)12(2)14/h3-11H2,1-2H3.
What are the key properties of 1-(1-octylcyclopropyl)ethanone?
1-(1-octylcyclopropyl)ethanone has a molecular weight of 196.33 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octylcyclopropyl)ethanone is sourced from PubChem (CID 22042371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).