1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol

C20H28O3Si — CID 172588590

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28O3Si/c1-20(2,3)24(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-16-17(21)15-22-4/h5-14,17,21H,15-16H2,1-4H3
InChIKeyBKAVFJFSNJNHLC-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.57
Rot. Bonds7

About 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol

1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol (PubChem CID 172588590) has the molecular formula C20H28O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
PubChem CID172588590
Molecular FormulaC20H28O3Si
Molecular Weight344.53 g/mol
Exact Mass344.18
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28O3Si/c1-20(2,3)24(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-16-17(21)15-22-4/h5-14,17,21H,15-16H2,1-4H3
InChIKeyBKAVFJFSNJNHLC-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol (CID 172588590) is 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol is COCC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol?
The InChIKey is BKAVFJFSNJNHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si/c1-20(2,3)24(18-11-7-5-8-12-18,19-13-9-6-10-14-19)23-16-17(21)15-22-4/h5-14,17,21H,15-16H2,1-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol?
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol has a molecular weight of 344.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol is sourced from PubChem (CID 172588590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).