CID 59751350

C25H33O5SiU- — CID 59751350

IUPAC—
SMILESCOCC1O[C@H]2[CH-]O[C@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2OC.[U]
InChIInChI=1S/C25H33O5Si.U/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-25-22(17-26-4)30-21(16-28-25)23(25)27-5;/h6-16,21-23H,17-18H2,1-5H3;/q-1;/t21-,22?,23-,25-;/m0./s1
InChIKeyFSHDKUGOJDREDI-DOZFSIRSSA-N
MW679.65 g/mol
LogP2.92
Rot. Bonds8

About CID 59751350

CID 59751350 (PubChem CID 59751350) has the molecular formula C25H33O5SiU- and a molecular weight of 679.65 g/mol.

Molecular Properties

Compound NameCID 59751350
PubChem CID59751350
Molecular FormulaC25H33O5SiU-
Molecular Weight679.65 g/mol
Exact Mass679.26
IUPAC Name—
SMILESCOCC1O[C@H]2[CH-]O[C@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2OC.[U]
InChIInChI=1S/C25H33O5Si.U/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-25-22(17-26-4)30-21(16-28-25)23(25)27-5;/h6-16,21-23H,17-18H2,1-5H3;/q-1;/t21-,22?,23-,25-;/m0./s1
InChIKeyFSHDKUGOJDREDI-DOZFSIRSSA-N
XLogP2.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.65
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
[(3aR,5R,6S,6aR)-5-(1-fluoroprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483207
[(3aR,4R,5S,6aS)-4-[(2-methylpropan-2-yl)oxy]-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 53253959
(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
CID 53360794
(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol
CID 134863666
tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane
CID 134863667
[(2S,3S,4R)-3,4-bis(prop-2-enyl)-2,3,4,5-tetrahydrofuran-5-id-2-yl]methoxy-tert-butyl-diphenylsilane;uranium
CID 134864534
[(2S,3R,4R)-3,4-bis(prop-2-enyl)-2,3,4,5-tetrahydrofuran-5-id-2-yl]methoxy-tert-butyl-diphenylsilane;uranium
CID 134864537
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
tert-butyl-[2-[(2R)-3,3-dimethyl-1,4-dioxaspiro[4.5]decan-2-yl]ethoxy]-diphenylsilane
CID 164671010
tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane
CID 24751126

Frequently Asked Questions

What is the IUPAC name of CID 59751350?
The IUPAC name of CID 59751350 (CID 59751350) is not available.
What is the SMILES notation for CID 59751350?
The canonical SMILES for CID 59751350 is COCC1O[C@H]2[CH-]O[C@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2OC.[U].
What is the InChIKey of CID 59751350?
The InChIKey is FSHDKUGOJDREDI-DOZFSIRSSA-N. The full InChI is InChI=1S/C25H33O5Si.U/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-18-25-22(17-26-4)30-21(16-28-25)23(25)27-5;/h6-16,21-23H,17-18H2,1-5H3;/q-1;/t21-,22?,23-,25-;/m0./s1.
What are the key properties of CID 59751350?
CID 59751350 has a molecular weight of 679.65 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59751350 is sourced from PubChem (CID 59751350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).