cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde

C8H15O4P — CID 125475013

IUPACcis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C8H15O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJRECICNZDKDVMF-JGVFFNPUSA-N
MW206.18 g/mol
LogP1.84
Rot. Bonds6

About cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde

cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde (PubChem CID 125475013) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
PubChem CID125475013
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Namecis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C8H15O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyJRECICNZDKDVMF-JGVFFNPUSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-diethoxyphosphorylcyclopropyl]methanol
CID 15450659
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
CID 10778844
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
1-diethoxyphosphoryl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 11413916
3-diethoxyphosphoryl-2-oxocyclohexane-1-carbaldehyde
CID 11747405
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
1-[(1R,2S)-2-diethoxyphosphorylcyclopropyl]-4-nitrobenzene
CID 102133820
4-diethoxyphosphoryl-3,4-dihydrochromen-2-one
CID 11150288
CID 101403900
CID 101403900
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde (CID 125475013) is cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde is CCOP(=O)(OCC)[C@@H]1C[C@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde?
The InChIKey is JRECICNZDKDVMF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15O4P/c1-3-11-13(10,12-4-2)8-5-7(8)6-9/h6-8H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde has a molecular weight of 206.18 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 125475013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).