2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane

C18H33O6PSi — CID 10739996

IUPAC2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane
SMILESCCOP(=O)(OCC)C(COCc1ccccc1)OCCO[Si](C)(C)C
InChIInChI=1S/C18H33O6PSi/c1-6-22-25(19,23-7-2)18(21-13-14-24-26(3,4)5)16-20-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3
InChIKeyUWIVSNYRFVPOQV-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.66
Rot. Bonds14

About 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane

2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane (PubChem CID 10739996) has the molecular formula C18H33O6PSi and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane.

Molecular Properties

Compound Name2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane
PubChem CID10739996
Molecular FormulaC18H33O6PSi
Molecular Weight404.52 g/mol
Exact Mass404.18
IUPAC Name2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane
SMILESCCOP(=O)(OCC)C(COCc1ccccc1)OCCO[Si](C)(C)C
InChIInChI=1S/C18H33O6PSi/c1-6-22-25(19,23-7-2)18(21-13-14-24-26(3,4)5)16-20-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3
InChIKeyUWIVSNYRFVPOQV-UHFFFAOYSA-N
XLogP4.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 132581718
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
2-fluorobutoxymethylbenzene
CID 121368179
(213C)ethoxymethylbenzene
CID 87947851
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
(3-diethoxyphosphoryl-3,3-difluoropropoxy)methylbenzene
CID 162539468

Frequently Asked Questions

What is the IUPAC name of 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane?
The IUPAC name of 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane (CID 10739996) is 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane.
What is the SMILES notation for 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane?
The canonical SMILES for 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane is CCOP(=O)(OCC)C(COCc1ccccc1)OCCO[Si](C)(C)C.
What is the InChIKey of 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane?
The InChIKey is UWIVSNYRFVPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O6PSi/c1-6-22-25(19,23-7-2)18(21-13-14-24-26(3,4)5)16-20-15-17-11-9-8-10-12-17/h8-12,18H,6-7,13-16H2,1-5H3.
What are the key properties of 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane?
2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane has a molecular weight of 404.52 g/mol, XLogP of 4.66, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-diethoxyphosphoryl-2-phenylmethoxyethoxy)ethoxy-trimethylsilane is sourced from PubChem (CID 10739996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).