1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one

C15H24O2 — CID 103458002

IUPAC1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(C=C1CCCCC1)CCCC1CCCO1
InChIInChI=1S/C15H24O2/c16-14(12-13-6-2-1-3-7-13)8-4-9-15-10-5-11-17-15/h12,15H,1-11H2
InChIKeyXIRGFRLCYGYRNM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one

1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one (PubChem CID 103458002) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one
PubChem CID103458002
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(C=C1CCCCC1)CCCC1CCCO1
InChIInChI=1S/C15H24O2/c16-14(12-13-6-2-1-3-7-13)8-4-9-15-10-5-11-17-15/h12,15H,1-11H2
InChIKeyXIRGFRLCYGYRNM-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
7-(oxolan-2-yl)heptanoic acid
CID 174977398
1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
CID 116590164
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
CID 65408979
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(oxolan-2-yl)undecan-4-one
CID 114976697
1-[4-(aminomethyl)cyclohexyl]-4-(oxolan-2-yl)butan-1-one
CID 116592511
1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 116567709

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one (CID 103458002) is 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one is O=C(C=C1CCCCC1)CCCC1CCCO1.
What is the InChIKey of 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is XIRGFRLCYGYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-14(12-13-6-2-1-3-7-13)8-4-9-15-10-5-11-17-15/h12,15H,1-11H2.
What are the key properties of 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one?
1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 103458002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).