[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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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).