1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one

C12H23O5P — CID 23420164

IUPAC1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@@]1(O)CC(C)=O
InChIInChI=1S/C12H23O5P/c1-4-16-18(15,17-5-2)11-7-6-8-12(11,14)9-10(3)13/h11,14H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyBASMRLZZEJQVMA-VXGBXAGGSA-N
MW278.28 g/mol
LogP2.52
Rot. Bonds7

About 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one

1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one (PubChem CID 23420164) has the molecular formula C12H23O5P and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one
PubChem CID23420164
Molecular FormulaC12H23O5P
Molecular Weight278.28 g/mol
Exact Mass278.13
IUPAC Name1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@@]1(O)CC(C)=O
InChIInChI=1S/C12H23O5P/c1-4-16-18(15,17-5-2)11-7-6-8-12(11,14)9-10(3)13/h11,14H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyBASMRLZZEJQVMA-VXGBXAGGSA-N
XLogP2.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2R)-2-diethoxyphosphoryl-1-prop-2-enylcyclohexan-1-ol
CID 23420153
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
2-dibutoxyphosphoryl-1-nitrocyclohexan-1-ol
CID 10449722
(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane
CID 134830544
CID 101403900
CID 101403900
ethyl 2-(1,2,4,5-tetrahydroxycyclononyl)acetate
CID 141218819
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
CID 79568315
CID 134963868
CID 134963868
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
methyl 2-[1-(ethylamino)-2,3-dimethylcyclohexyl]acetate
CID 65235186
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one?
The IUPAC name of 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one (CID 23420164) is 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one?
The canonical SMILES for 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one is CCOP(=O)(OCC)[C@@H]1CCC[C@@]1(O)CC(C)=O.
What is the InChIKey of 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one?
The InChIKey is BASMRLZZEJQVMA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23O5P/c1-4-16-18(15,17-5-2)11-7-6-8-12(11,14)9-10(3)13/h11,14H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one?
1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one has a molecular weight of 278.28 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-diethoxyphosphoryl-1-hydroxycyclopentyl]propan-2-one is sourced from PubChem (CID 23420164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).