lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate

C19H28LiO5P — CID 134939204

IUPAClithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate
SMILESCOP(=O)(/C=C(/[O-])O[C@H]1CCCC[C@@H]1C(C)(C)c1ccccc1)OC.[Li+]
InChIInChI=1S/C19H29O5P.Li/c1-19(2,15-10-6-5-7-11-15)16-12-8-9-13-17(16)24-18(20)14-25(21,22-3)23-4;/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3;/q;+1/p-1/b18-14-;/t16-,17-;/m0./s1
InChIKeyNJYAACOMVPSPKK-BJFRLYQXSA-M
MW374.34 g/mol
LogP1.19
Rot. Bonds7

About lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate

lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate (PubChem CID 134939204) has the molecular formula C19H28LiO5P and a molecular weight of 374.34 g/mol. Its IUPAC name is lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate.

Molecular Properties

Compound Namelithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate
PubChem CID134939204
Molecular FormulaC19H28LiO5P
Molecular Weight374.34 g/mol
Exact Mass374.18
IUPAC Namelithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate
SMILESCOP(=O)(/C=C(/[O-])O[C@H]1CCCC[C@@H]1C(C)(C)c1ccccc1)OC.[Li+]
InChIInChI=1S/C19H29O5P.Li/c1-19(2,15-10-6-5-7-11-15)16-12-8-9-13-17(16)24-18(20)14-25(21,22-3)23-4;/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3;/q;+1/p-1/b18-14-;/t16-,17-;/m0./s1
InChIKeyNJYAACOMVPSPKK-BJFRLYQXSA-M
XLogP1.19
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate?
The IUPAC name of lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate (CID 134939204) is lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate.
What is the SMILES notation for lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate?
The canonical SMILES for lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate is COP(=O)(/C=C(/[O-])O[C@H]1CCCC[C@@H]1C(C)(C)c1ccccc1)OC.[Li+].
What is the InChIKey of lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate?
The InChIKey is NJYAACOMVPSPKK-BJFRLYQXSA-M. The full InChI is InChI=1S/C19H29O5P.Li/c1-19(2,15-10-6-5-7-11-15)16-12-8-9-13-17(16)24-18(20)14-25(21,22-3)23-4;/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3;/q;+1/p-1/b18-14-;/t16-,17-;/m0./s1.
What are the key properties of lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate?
lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate has a molecular weight of 374.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate is sourced from PubChem (CID 134939204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).