cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane

C10H19O3P — CID 58212706

IUPACcis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
SMILESC=C[C@@H]1C[C@]1(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-5-9-8-10(9,4)14(11,12-6-2)13-7-3/h5,9H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeySUIRWVCPVWVUIP-ZJUUUORDSA-N
MW218.23 g/mol
LogP3.22
Rot. Bonds6

About cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane

cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane (PubChem CID 58212706) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
PubChem CID58212706
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Namecis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
SMILESC=C[C@@H]1C[C@]1(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-5-9-8-10(9,4)14(11,12-6-2)13-7-3/h5,9H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeySUIRWVCPVWVUIP-ZJUUUORDSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane?
The IUPAC name of cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane (CID 58212706) is cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane.
What is the SMILES notation for cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane?
The canonical SMILES for cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane is C=C[C@@H]1C[C@]1(C)P(=O)(OCC)OCC.
What is the InChIKey of cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane?
The InChIKey is SUIRWVCPVWVUIP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-9-8-10(9,4)14(11,12-6-2)13-7-3/h5,9H,1,6-8H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane?
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane has a molecular weight of 218.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane is sourced from PubChem (CID 58212706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).