1-diethoxyphosphorylcyclopenta-1,3-diene

C9H15O3P — CID 89073470

IUPAC1-diethoxyphosphorylcyclopenta-1,3-diene
SMILESCCOP(=O)(OCC)C1=CC=CC1
InChIInChI=1S/C9H15O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-7H,3-4,8H2,1-2H3
InChIKeyLQEOGUKQQMIOJV-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.10
Rot. Bonds5

About 1-diethoxyphosphorylcyclopenta-1,3-diene

1-diethoxyphosphorylcyclopenta-1,3-diene (PubChem CID 89073470) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-diethoxyphosphorylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-diethoxyphosphorylcyclopenta-1,3-diene
PubChem CID89073470
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name1-diethoxyphosphorylcyclopenta-1,3-diene
SMILESCCOP(=O)(OCC)C1=CC=CC1
InChIInChI=1S/C9H15O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-7H,3-4,8H2,1-2H3
InChIKeyLQEOGUKQQMIOJV-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphorylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
1-diethoxyphosphoryl-4-methylcyclohexene
CID 12856524
CID 11461408
CID 11461408
(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide
CID 164681904
1-cyclopenta-1,3-dien-1-yl-N-[4-(diethoxyphosphorylmethyl)phenyl]methanimine
CID 89161116
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-diethoxyphosphoryl-5-methylcyclopentene
CID 11160270
2-diethoxyphosphoryl-5,5-dimethylcyclopent-2-en-1-one
CID 13431507
5,11,17,23,29-pentakis(diethoxyphosphoryl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 102025776
3-diethoxyphosphoryl-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran
CID 73117051
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylcyclopenta-1,3-diene?
The IUPAC name of 1-diethoxyphosphorylcyclopenta-1,3-diene (CID 89073470) is 1-diethoxyphosphorylcyclopenta-1,3-diene.
What is the SMILES notation for 1-diethoxyphosphorylcyclopenta-1,3-diene?
The canonical SMILES for 1-diethoxyphosphorylcyclopenta-1,3-diene is CCOP(=O)(OCC)C1=CC=CC1.
What is the InChIKey of 1-diethoxyphosphorylcyclopenta-1,3-diene?
The InChIKey is LQEOGUKQQMIOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-3-11-13(10,12-4-2)9-7-5-6-8-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylcyclopenta-1,3-diene?
1-diethoxyphosphorylcyclopenta-1,3-diene has a molecular weight of 202.19 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylcyclopenta-1,3-diene is sourced from PubChem (CID 89073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).