(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol

C12H27O5PSi — CID 25137337

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27O5PSi/c1-12(2,3)19(6,7)17-10-8-9-11(13)18(14,15-4)16-5/h8-9,11,13H,10H2,1-7H3/b9-8+
InChIKeyYFEKVYQOKLUTKF-CMDGGOBGSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds7

About (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol

(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol (PubChem CID 25137337) has the molecular formula C12H27O5PSi and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
PubChem CID25137337
Molecular FormulaC12H27O5PSi
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
SMILESCOP(=O)(OC)C(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27O5PSi/c1-12(2,3)19(6,7)17-10-8-9-11(13)18(14,15-4)16-5/h8-9,11,13H,10H2,1-7H3/b9-8+
InChIKeyYFEKVYQOKLUTKF-CMDGGOBGSA-N
XLogP3.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-1-dimethoxyphosphorylbut-2-en-1-ol
CID 5470785
1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one
CID 90164514
methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
CID 11141986

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol (CID 25137337) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol is COP(=O)(OC)C(O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol?
The InChIKey is YFEKVYQOKLUTKF-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H27O5PSi/c1-12(2,3)19(6,7)17-10-8-9-11(13)18(14,15-4)16-5/h8-9,11,13H,10H2,1-7H3/b9-8+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol is sourced from PubChem (CID 25137337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).