[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol

C8H17O4P — CID 15450659

IUPAC[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H]1CO
InChIInChI=1S/C8H17O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeySGLWXAJWRNRVRU-SFYZADRCSA-N
MW208.19 g/mol
LogP1.63
Rot. Bonds6

About [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol

[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol (PubChem CID 15450659) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol
PubChem CID15450659
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H]1CO
InChIInChI=1S/C8H17O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeySGLWXAJWRNRVRU-SFYZADRCSA-N
XLogP1.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
CID 125475013
[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol
CID 101002673
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 135059999
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
9-[[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methyl]purin-6-amine
CID 15450660
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
CID 10778844
1-diethoxyphosphoryl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 11413916
CID 101403900
CID 101403900
(2-ethoxycyclopropyl)methanol
CID 13465027
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol (CID 15450659) is [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol is CCOP(=O)(OCC)[C@H]1C[C@@H]1CO.
What is the InChIKey of [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol?
The InChIKey is SGLWXAJWRNRVRU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol?
[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol has a molecular weight of 208.19 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol is sourced from PubChem (CID 15450659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).