(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol

C14H22O3Si — CID 10901557

IUPAC(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol
SMILESC[C@@H](O)C[C@@H](O)[C@]1([Si](C)(C)c2ccccc2)CO1
InChIInChI=1S/C14H22O3Si/c1-11(15)9-13(16)14(10-17-14)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14-/m1/s1
InChIKeyUMNGFQSYWBATEQ-MRVWCRGKSA-N
MW266.41 g/mol
LogP1.04
Rot. Bonds5

About (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol

(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol (PubChem CID 10901557) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol
PubChem CID10901557
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol
SMILESC[C@@H](O)C[C@@H](O)[C@]1([Si](C)(C)c2ccccc2)CO1
InChIInChI=1S/C14H22O3Si/c1-11(15)9-13(16)14(10-17-14)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14-/m1/s1
InChIKeyUMNGFQSYWBATEQ-MRVWCRGKSA-N
XLogP1.04
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
4-phenylheptane-2,6-diol
CID 173150769
3-[dimethyl(phenyl)silyl]bicyclo[1.1.1]pentan-1-ol
CID 154717335
(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
CID 11834255
(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol
CID 10978413
[2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane
CID 177466379
1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol
CID 11746205
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
methyl-phenyl-di(propan-2-yloxy)silane
CID 15206336
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol?
The IUPAC name of (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol (CID 10901557) is (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol.
What is the SMILES notation for (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol?
The canonical SMILES for (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol is C[C@@H](O)C[C@@H](O)[C@]1([Si](C)(C)c2ccccc2)CO1.
What is the InChIKey of (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol?
The InChIKey is UMNGFQSYWBATEQ-MRVWCRGKSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-11(15)9-13(16)14(10-17-14)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14-/m1/s1.
What are the key properties of (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol?
(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol has a molecular weight of 266.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol is sourced from PubChem (CID 10901557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).