(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium

C10H14O3P+ — CID 135041748

IUPAC(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium
SMILESCCOC(=O)C1([PH+]=O)CC2C=CC1C2
InChIInChI=1S/C10H13O3P/c1-2-13-9(11)10(14-12)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3/p+1
InChIKeyGMADULOBLMZGLG-UHFFFAOYSA-O
MW213.19 g/mol
LogP1.91
Rot. Bonds3

About (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium

(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium (PubChem CID 135041748) has the molecular formula C10H14O3P+ and a molecular weight of 213.19 g/mol. Its IUPAC name is (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium.

Molecular Properties

Compound Name(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium
PubChem CID135041748
Molecular FormulaC10H14O3P+
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium
SMILESCCOC(=O)C1([PH+]=O)CC2C=CC1C2
InChIInChI=1S/C10H13O3P/c1-2-13-9(11)10(14-12)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3/p+1
InChIKeyGMADULOBLMZGLG-UHFFFAOYSA-O
XLogP1.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.91
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'}

Analyze (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium 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

ethyl 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 69241051
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
ethyl 2-phenylselanylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14593070
methyl 2-bromobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14863863
diethyl 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CID 59371054
methyl (2S)-2-(2-chloroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 70591056
diethyl 2-thiabicyclo[2.2.1]hept-5-ene-3,3-dicarboxylate
CID 14792534
(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98055767
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770522
2-(2-butoxy-2-oxoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22172317
methyl (1S,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 132552801
ethyl 3-amino-1-(3,5-dimethylphenyl)cyclobutane-1-carboxylate
CID 165493227

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium?
The IUPAC name of (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium (CID 135041748) is (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium.
What is the SMILES notation for (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium?
The canonical SMILES for (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium is CCOC(=O)C1([PH+]=O)CC2C=CC1C2.
What is the InChIKey of (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium?
The InChIKey is GMADULOBLMZGLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O3P/c1-2-13-9(11)10(14-12)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3/p+1.
What are the key properties of (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium?
(2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium has a molecular weight of 213.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-oxophosphanium is sourced from PubChem (CID 135041748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).