triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane

C31H68O5Si4 — CID 11308153

IUPACtriethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
SMILESC=C1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H68O5Si4/c1-14-37(15-2,16-3)32-26-28-30(35-39(20-7,21-8)22-9)31(36-40(23-10,24-11)25-12)29(27(13)33-28)34-38(17-4,18-5)19-6/h28-31H,13-26H2,1-12H3/t28-,29+,30-,31-/m1/s1
InChIKeyBVGVPKFIZJQXJY-YXOGWZJSSA-N
MW633.22 g/mol
LogP10.09
Rot. Bonds21

About triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane

triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane (PubChem CID 11308153) has the molecular formula C31H68O5Si4 and a molecular weight of 633.22 g/mol. Its IUPAC name is triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
PubChem CID11308153
Molecular FormulaC31H68O5Si4
Molecular Weight633.22 g/mol
Exact Mass632.41
IUPAC Nametriethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane
SMILESC=C1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C31H68O5Si4/c1-14-37(15-2,16-3)32-26-28-30(35-39(20-7,21-8)22-9)31(36-40(23-10,24-11)25-12)29(27(13)33-28)34-38(17-4,18-5)19-6/h28-31H,13-26H2,1-12H3/t28-,29+,30-,31-/m1/s1
InChIKeyBVGVPKFIZJQXJY-YXOGWZJSSA-N
XLogP10.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.22
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane (CID 11308153) is triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane is C=C1O[C@H](CO[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](O[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane?
The InChIKey is BVGVPKFIZJQXJY-YXOGWZJSSA-N. The full InChI is InChI=1S/C31H68O5Si4/c1-14-37(15-2,16-3)32-26-28-30(35-39(20-7,21-8)22-9)31(36-40(23-10,24-11)25-12)29(27(13)33-28)34-38(17-4,18-5)19-6/h28-31H,13-26H2,1-12H3/t28-,29+,30-,31-/m1/s1.
What are the key properties of triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane?
triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane has a molecular weight of 633.22 g/mol, XLogP of 10.09, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2R,3R,4S,5R)-6-methylidene-4,5-bis(triethylsilyloxy)-2-(triethylsilyloxymethyl)oxan-3-yl]oxysilane is sourced from PubChem (CID 11308153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).