1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane

C11H19O3P — CID 123599491

IUPAC1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane
SMILESC=CC1CC1(C=C)P(=O)(OCC)OCC
InChIInChI=1S/C11H19O3P/c1-5-10-9-11(10,6-2)15(12,13-7-3)14-8-4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyGWBDXNQSVFUVAW-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.38
Rot. Bonds7

About 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane

1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane (PubChem CID 123599491) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane
PubChem CID123599491
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane
SMILESC=CC1CC1(C=C)P(=O)(OCC)OCC
InChIInChI=1S/C11H19O3P/c1-5-10-9-11(10,6-2)15(12,13-7-3)14-8-4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyGWBDXNQSVFUVAW-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.38
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

(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
(Z)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 13291222
(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223
Diethyl (3-methylbut-1-en-1-yl)phosphonate
CID 71407469
(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
CID 101401800
Diisobutyl hexenyl phosphonate
CID 129760246
3-[Ethoxy(prop-2-enoxy)phosphoryl]hepta-1,2-diene
CID 134867268
Diethyl 4-methylpent-1-enyl phosphate
CID 134945786
Ethoxy-hex-5-enyl-oxophosphanium
CID 134973479

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane?
The IUPAC name of 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane (CID 123599491) is 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane?
The canonical SMILES for 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane is C=CC1CC1(C=C)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane?
The InChIKey is GWBDXNQSVFUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3P/c1-5-10-9-11(10,6-2)15(12,13-7-3)14-8-4/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane?
1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane has a molecular weight of 230.24 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,2-bis(ethenyl)cyclopropane is sourced from PubChem (CID 123599491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).