(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde

C26H34O4Si — CID 11070201

IUPAC(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](C=O)O2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O4Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-21-15-17-25(30-21)24-16-14-20(18-27)29-24/h4-13,18,20-21,24-25H,14-17,19H2,1-3H3/t20-,21-,24-,25-/m0/s1
InChIKeyPKKOMLYIWIJUAA-NBMBROAQSA-N
MW438.64 g/mol
LogP3.86
Rot. Bonds7

About (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde

(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde (PubChem CID 11070201) has the molecular formula C26H34O4Si and a molecular weight of 438.64 g/mol. Its IUPAC name is (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
PubChem CID11070201
Molecular FormulaC26H34O4Si
Molecular Weight438.64 g/mol
Exact Mass438.22
IUPAC Name(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](C=O)O2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O4Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-21-15-17-25(30-21)24-16-14-20(18-27)29-24/h4-13,18,20-21,24-25H,14-17,19H2,1-3H3/t20-,21-,24-,25-/m0/s1
InChIKeyPKKOMLYIWIJUAA-NBMBROAQSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
CID 59795858
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
3-[(2R,3aS,5R,6S,7aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-6-methyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]propanal
CID 11271928

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The IUPAC name of (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde (CID 11070201) is (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The canonical SMILES for (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde is CC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](C=O)O2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde?
The InChIKey is PKKOMLYIWIJUAA-NBMBROAQSA-N. The full InChI is InChI=1S/C26H34O4Si/c1-26(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)28-19-21-15-17-25(30-21)24-16-14-20(18-27)29-24/h4-13,18,20-21,24-25H,14-17,19H2,1-3H3/t20-,21-,24-,25-/m0/s1.
What are the key properties of (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde?
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde has a molecular weight of 438.64 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11070201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).