[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol

C22H28O3Si — CID 86594449

IUPAC[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol
SMILESC[Si](C)(c1ccccc1)C1CC2OC2(CO)C1COCc1ccccc1
InChIInChI=1S/C22H28O3Si/c1-26(2,18-11-7-4-8-12-18)20-13-21-22(16-23,25-21)19(20)15-24-14-17-9-5-3-6-10-17/h3-12,19-21,23H,13-16H2,1-2H3
InChIKeyQHBFZNNWQAGCPA-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.34
Rot. Bonds7

About [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol

[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol (PubChem CID 86594449) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol.

Molecular Properties

Compound Name[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol
PubChem CID86594449
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol
SMILESC[Si](C)(c1ccccc1)C1CC2OC2(CO)C1COCc1ccccc1
InChIInChI=1S/C22H28O3Si/c1-26(2,18-11-7-4-8-12-18)20-13-21-22(16-23,25-21)19(20)15-24-14-17-9-5-3-6-10-17/h3-12,19-21,23H,13-16H2,1-2H3
InChIKeyQHBFZNNWQAGCPA-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 150125273
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
[(1S,5R,6R,7R,8S)-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-dimethyl-phenylsilane
CID 57325871
[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
CID 10989341
[(4R,5R)-5-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 73057850
(E)-3-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 134972307
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 11675149
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511

Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol?
The IUPAC name of [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol (CID 86594449) is [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol.
What is the SMILES notation for [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol?
The canonical SMILES for [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol is C[Si](C)(c1ccccc1)C1CC2OC2(CO)C1COCc1ccccc1.
What is the InChIKey of [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol?
The InChIKey is QHBFZNNWQAGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-26(2,18-11-7-4-8-12-18)20-13-21-22(16-23,25-21)19(20)15-24-14-17-9-5-3-6-10-17/h3-12,19-21,23H,13-16H2,1-2H3.
What are the key properties of [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol?
[3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol has a molecular weight of 368.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl(phenyl)silyl]-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]methanol is sourced from PubChem (CID 86594449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).