(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate

C19H35NO4PSi- — CID 164682108

IUPAC(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate
SMILESCCOP(=O)(OCC)C1=C([Si](C)(C)C)C=C/C1=C(/[O-])N(C(C)C)C(C)C
InChIInChI=1S/C19H36NO4PSi/c1-10-23-25(22,24-11-2)18-16(12-13-17(18)26(7,8)9)19(21)20(14(3)4)15(5)6/h12-15,21H,10-11H2,1-9H3/p-1/b19-16-
InChIKeyFXOVALGFVOLFJU-MNDPQUGUSA-M
MW400.55 g/mol
LogP4.64
Rot. Bonds9

About (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate

(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate (PubChem CID 164682108) has the molecular formula C19H35NO4PSi- and a molecular weight of 400.55 g/mol. Its IUPAC name is (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate.

Molecular Properties

Compound Name(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate
PubChem CID164682108
Molecular FormulaC19H35NO4PSi-
Molecular Weight400.55 g/mol
Exact Mass400.21
IUPAC Name(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate
SMILESCCOP(=O)(OCC)C1=C([Si](C)(C)C)C=C/C1=C(/[O-])N(C(C)C)C(C)C
InChIInChI=1S/C19H36NO4PSi/c1-10-23-25(22,24-11-2)18-16(12-13-17(18)26(7,8)9)19(21)20(14(3)4)15(5)6/h12-15,21H,10-11H2,1-9H3/p-1/b19-16-
InChIKeyFXOVALGFVOLFJU-MNDPQUGUSA-M
XLogP4.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
CID 102131380
CID 11461408
CID 11461408
5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
1-diethoxyphosphoryl-3-(difluoromethyl)benzene
CID 166609915
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
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
2-diethoxyphosphoryl-1H-benzimidazole
CID 15498454
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-diethoxyphosphoryl-3,5-di(propan-2-yl)benzene-1,4-diol
CID 4114584
6-diethoxyphosphorylnaphthalen-2-ol
CID 10492986
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
CID 86746778

Frequently Asked Questions

What is the IUPAC name of (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate?
The IUPAC name of (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate (CID 164682108) is (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate.
What is the SMILES notation for (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate?
The canonical SMILES for (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate is CCOP(=O)(OCC)C1=C([Si](C)(C)C)C=C/C1=C(/[O-])N(C(C)C)C(C)C.
What is the InChIKey of (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate?
The InChIKey is FXOVALGFVOLFJU-MNDPQUGUSA-M. The full InChI is InChI=1S/C19H36NO4PSi/c1-10-23-25(22,24-11-2)18-16(12-13-17(18)26(7,8)9)19(21)20(14(3)4)15(5)6/h12-15,21H,10-11H2,1-9H3/p-1/b19-16-.
What are the key properties of (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate?
(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate has a molecular weight of 400.55 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate is sourced from PubChem (CID 164682108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).