1-diethoxyphosphoryl-2-methoxycyclopentene

C10H19O4P — CID 10561648

IUPAC1-diethoxyphosphoryl-2-methoxycyclopentene
SMILESCCOP(=O)(OCC)C1=C(OC)CCC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-8-6-7-9(10)12-3/h4-8H2,1-3H3
InChIKeyUQNAGWKHKKMAFM-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.29
Rot. Bonds6

About 1-diethoxyphosphoryl-2-methoxycyclopentene

1-diethoxyphosphoryl-2-methoxycyclopentene (PubChem CID 10561648) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-methoxycyclopentene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-methoxycyclopentene
PubChem CID10561648
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-diethoxyphosphoryl-2-methoxycyclopentene
SMILESCCOP(=O)(OCC)C1=C(OC)CCC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-8-6-7-9(10)12-3/h4-8H2,1-3H3
InChIKeyUQNAGWKHKKMAFM-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-ethoxy-1-cyclopenten-1-ylphosphonate
CID 10776923
1-Cyclopenten-1-yl diethyl phosphate
CID 11063950
4-Diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran
CID 10944771
Diethyl (2-iodocyclopenten-1-yl) phosphate
CID 46854114
1-Diethoxyphosphoryl-2-methoxycyclohexene
CID 10933847
5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran
CID 11276363
4-Diethoxyphosphoryl-5-methyl-2,3-dihydrofuran
CID 11368001
6-Diethoxyphosphoryl-7-methyl-2,3,4,5-tetrahydrooxepine
CID 11425160
(7E)-7-diethoxyphosphoryl-8-methyl-3,4,5,6-tetrahydro-2H-oxocine
CID 11459680
1-Diethoxyphosphoryl-2-ethoxycyclohexene
CID 14963268

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-methoxycyclopentene?
The IUPAC name of 1-diethoxyphosphoryl-2-methoxycyclopentene (CID 10561648) is 1-diethoxyphosphoryl-2-methoxycyclopentene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-methoxycyclopentene?
The canonical SMILES for 1-diethoxyphosphoryl-2-methoxycyclopentene is CCOP(=O)(OCC)C1=C(OC)CCC1.
What is the InChIKey of 1-diethoxyphosphoryl-2-methoxycyclopentene?
The InChIKey is UQNAGWKHKKMAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-8-6-7-9(10)12-3/h4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-methoxycyclopentene?
1-diethoxyphosphoryl-2-methoxycyclopentene has a molecular weight of 234.23 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-methoxycyclopentene is sourced from PubChem (CID 10561648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).