1-diethoxyphosphoryl-2-ethenylcyclopropane

C9H17O3P — CID 102156837

IUPAC1-diethoxyphosphoryl-2-ethenylcyclopropane
SMILESC=CC1CC1P(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-4-8-7-9(8)13(10,11-5-2)12-6-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyXUXRWWQGCNHRSC-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.83
Rot. Bonds6

About 1-diethoxyphosphoryl-2-ethenylcyclopropane

1-diethoxyphosphoryl-2-ethenylcyclopropane (PubChem CID 102156837) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-ethenylcyclopropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-ethenylcyclopropane
PubChem CID102156837
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-diethoxyphosphoryl-2-ethenylcyclopropane
SMILESC=CC1CC1P(=O)(OCC)OCC
InChIInChI=1S/C9H17O3P/c1-4-8-7-9(8)13(10,11-5-2)12-6-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyXUXRWWQGCNHRSC-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.83
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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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
1-Diethoxyphosphorylbut-1-ene
CID 23280731

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-ethenylcyclopropane?
The IUPAC name of 1-diethoxyphosphoryl-2-ethenylcyclopropane (CID 102156837) is 1-diethoxyphosphoryl-2-ethenylcyclopropane.
What is the SMILES notation for 1-diethoxyphosphoryl-2-ethenylcyclopropane?
The canonical SMILES for 1-diethoxyphosphoryl-2-ethenylcyclopropane is C=CC1CC1P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-ethenylcyclopropane?
The InChIKey is XUXRWWQGCNHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-4-8-7-9(8)13(10,11-5-2)12-6-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-ethenylcyclopropane?
1-diethoxyphosphoryl-2-ethenylcyclopropane has a molecular weight of 204.21 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-ethenylcyclopropane is sourced from PubChem (CID 102156837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).