(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene

C23H29O2P — CID 102091488

IUPAC(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene
SMILESCCOC1=CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C23H29O2P/c1-4-25-19-12-11-17-22(23(2,3)18-19)26(24,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,12-16,22H,4,11,17-18H2,1-3H3/t22-/m1/s1
InChIKeyUXKPQGPJNPKBGM-JOCHJYFZSA-N
MW368.46 g/mol
LogP5.50
Rot. Bonds5

About (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene

(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene (PubChem CID 102091488) has the molecular formula C23H29O2P and a molecular weight of 368.46 g/mol. Its IUPAC name is (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene.

Molecular Properties

Compound Name(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene
PubChem CID102091488
Molecular FormulaC23H29O2P
Molecular Weight368.46 g/mol
Exact Mass368.19
IUPAC Name(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene
SMILESCCOC1=CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C23H29O2P/c1-4-25-19-12-11-17-22(23(2,3)18-19)26(24,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,12-16,22H,4,11,17-18H2,1-3H3/t22-/m1/s1
InChIKeyUXKPQGPJNPKBGM-JOCHJYFZSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene 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

(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298
1-diphenylphosphoryl-3-ethoxybenzene
CID 148706452
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
CID 11087864
(1R,2S,4S)-2-diphenylphosphoryl-1,3,3-trimethylbicyclo[2.2.1]heptane
CID 46184539
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
(5R,6S)-5-diphenylphosphoryl-1,6-diphenylcycloheptene
CID 102091489
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine
CID 102245840
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
2-diphenylphosphoryl-4-ethoxyphenol
CID 175172979

Frequently Asked Questions

What is the IUPAC name of (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene?
The IUPAC name of (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene (CID 102091488) is (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene.
What is the SMILES notation for (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene?
The canonical SMILES for (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene is CCOC1=CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C(C)(C)C1.
What is the InChIKey of (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene?
The InChIKey is UXKPQGPJNPKBGM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29O2P/c1-4-25-19-12-11-17-22(23(2,3)18-19)26(24,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,12-16,22H,4,11,17-18H2,1-3H3/t22-/m1/s1.
What are the key properties of (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene?
(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene has a molecular weight of 368.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene is sourced from PubChem (CID 102091488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).