1-dicyclopentyloxyphosphorylbutan-1-one

C14H25O4P — CID 23002147

IUPAC1-dicyclopentyloxyphosphorylbutan-1-one
SMILESCCCC(=O)P(=O)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C14H25O4P/c1-2-7-14(15)19(16,17-12-8-3-4-9-12)18-13-10-5-6-11-13/h12-13H,2-11H2,1H3
InChIKeyKTTGAFUXGPQFNI-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.42
Rot. Bonds7

About 1-dicyclopentyloxyphosphorylbutan-1-one

1-dicyclopentyloxyphosphorylbutan-1-one (PubChem CID 23002147) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-dicyclopentyloxyphosphorylbutan-1-one.

Molecular Properties

Compound Name1-dicyclopentyloxyphosphorylbutan-1-one
PubChem CID23002147
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name1-dicyclopentyloxyphosphorylbutan-1-one
SMILESCCCC(=O)P(=O)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C14H25O4P/c1-2-7-14(15)19(16,17-12-8-3-4-9-12)18-13-10-5-6-11-13/h12-13H,2-11H2,1H3
InChIKeyKTTGAFUXGPQFNI-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-dicyclopentyloxyphosphorylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dimethoxyphosphorylbutan-1-one
CID 15685100
1-dicyclohexyloxyphosphoryl-2-ethylhexan-1-one
CID 23002045
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
copper;cyclohexyl butanoate
CID 67654151
[fluoro(methyl)phosphoryl]oxycyclopentane;propane
CID 91381974
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
strontium;cyclohexyl butanoate;hydride
CID 173148532
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
cyclohexyl nonyl hydrogen phosphate
CID 163645473

Frequently Asked Questions

What is the IUPAC name of 1-dicyclopentyloxyphosphorylbutan-1-one?
The IUPAC name of 1-dicyclopentyloxyphosphorylbutan-1-one (CID 23002147) is 1-dicyclopentyloxyphosphorylbutan-1-one.
What is the SMILES notation for 1-dicyclopentyloxyphosphorylbutan-1-one?
The canonical SMILES for 1-dicyclopentyloxyphosphorylbutan-1-one is CCCC(=O)P(=O)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of 1-dicyclopentyloxyphosphorylbutan-1-one?
The InChIKey is KTTGAFUXGPQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4P/c1-2-7-14(15)19(16,17-12-8-3-4-9-12)18-13-10-5-6-11-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-dicyclopentyloxyphosphorylbutan-1-one?
1-dicyclopentyloxyphosphorylbutan-1-one has a molecular weight of 288.32 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dicyclopentyloxyphosphorylbutan-1-one is sourced from PubChem (CID 23002147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).