11-(2-hexylcyclopropyl)undecan-2-one

C20H38O — CID 20746928

IUPAC11-(2-hexylcyclopropyl)undecan-2-one
SMILESCCCCCCC1CC1CCCCCCCCCC(C)=O
InChIInChI=1S/C20H38O/c1-3-4-5-12-15-19-17-20(19)16-13-10-8-6-7-9-11-14-18(2)21/h19-20H,3-17H2,1-2H3
InChIKeyIJELJVDKVSADSI-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.69
Rot. Bonds15

About 11-(2-hexylcyclopropyl)undecan-2-one

11-(2-hexylcyclopropyl)undecan-2-one (PubChem CID 20746928) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 11-(2-hexylcyclopropyl)undecan-2-one.

Molecular Properties

Compound Name11-(2-hexylcyclopropyl)undecan-2-one
PubChem CID20746928
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name11-(2-hexylcyclopropyl)undecan-2-one
SMILESCCCCCCC1CC1CCCCCCCCCC(C)=O
InChIInChI=1S/C20H38O/c1-3-4-5-12-15-19-17-20(19)16-13-10-8-6-7-9-11-14-18(2)21/h19-20H,3-17H2,1-2H3
InChIKeyIJELJVDKVSADSI-UHFFFAOYSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.69
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

9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
10-(2-butylcyclopentyl)decan-2-one
CID 71171350
1-hexyl-2-undecylcyclopropane
CID 58049498
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
1,2-dioctylcyclopropane
CID 21337627
decan-2-one
CID 12741
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496

Frequently Asked Questions

What is the IUPAC name of 11-(2-hexylcyclopropyl)undecan-2-one?
The IUPAC name of 11-(2-hexylcyclopropyl)undecan-2-one (CID 20746928) is 11-(2-hexylcyclopropyl)undecan-2-one.
What is the SMILES notation for 11-(2-hexylcyclopropyl)undecan-2-one?
The canonical SMILES for 11-(2-hexylcyclopropyl)undecan-2-one is CCCCCCC1CC1CCCCCCCCCC(C)=O.
What is the InChIKey of 11-(2-hexylcyclopropyl)undecan-2-one?
The InChIKey is IJELJVDKVSADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-3-4-5-12-15-19-17-20(19)16-13-10-8-6-7-9-11-14-18(2)21/h19-20H,3-17H2,1-2H3.
What are the key properties of 11-(2-hexylcyclopropyl)undecan-2-one?
11-(2-hexylcyclopropyl)undecan-2-one has a molecular weight of 294.52 g/mol, XLogP of 6.69, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hexylcyclopropyl)undecan-2-one is sourced from PubChem (CID 20746928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).