1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol

C23H32O3Si — CID 123510913

IUPAC1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
SMILESCC(C)(C)[Si](OCC(O)CCC1(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-18-19(24)14-15-23(25)16-17-23/h4-13,19,24-25H,14-18H2,1-3H3
InChIKeyOBUJOQBHVQYWBG-UHFFFAOYSA-N
MW384.59 g/mol
LogP3.23
Rot. Bonds8

About 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol

1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol (PubChem CID 123510913) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
PubChem CID123510913
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
SMILESCC(C)(C)[Si](OCC(O)CCC1(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-18-19(24)14-15-23(25)16-17-23/h4-13,19,24-25H,14-18H2,1-3H3
InChIKeyOBUJOQBHVQYWBG-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
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
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(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
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol (CID 123510913) is 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol is CC(C)(C)[Si](OCC(O)CCC1(O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol?
The InChIKey is OBUJOQBHVQYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-18-19(24)14-15-23(25)16-17-23/h4-13,19,24-25H,14-18H2,1-3H3.
What are the key properties of 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol?
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol has a molecular weight of 384.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol is sourced from PubChem (CID 123510913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).