(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde

C32H68O6Si4 — CID 101106246

IUPAC(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H68O6Si4/c1-29(2,3)39(13,14)34-23-25-27(37-41(17,18)31(7,8)9)28(38-42(19,20)32(10,11)12)26(24(35-25)21-22-33)36-40(15,16)30(4,5)6/h21-22,25-28H,23H2,1-20H3/b24-21-/t25-,26+,27-,28-/m1/s1
InChIKeyAHIGAFLTZHEPAW-NRCCEVRQSA-N
MW661.23 g/mol
LogP9.66
Rot. Bonds10

About (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde

(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde (PubChem CID 101106246) has the molecular formula C32H68O6Si4 and a molecular weight of 661.23 g/mol. Its IUPAC name is (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde
PubChem CID101106246
Molecular FormulaC32H68O6Si4
Molecular Weight661.23 g/mol
Exact Mass660.41
IUPAC Name(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H68O6Si4/c1-29(2,3)39(13,14)34-23-25-27(37-41(17,18)31(7,8)9)28(38-42(19,20)32(10,11)12)26(24(35-25)21-22-33)36-40(15,16)30(4,5)6/h21-22,25-28H,23H2,1-20H3/b24-21-/t25-,26+,27-,28-/m1/s1
InChIKeyAHIGAFLTZHEPAW-NRCCEVRQSA-N
XLogP9.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.23
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde with MolForge

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Related Compounds

(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxybut-2-enal
CID 12186168
(2Z)-2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde
CID 11158110
[(2R,3R,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 11422427
[(2R,3S,4S,5R,6Z)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enylideneoxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101106239

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde?
The IUPAC name of (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde (CID 101106246) is (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde.
What is the SMILES notation for (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde?
The canonical SMILES for (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C\C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde?
The InChIKey is AHIGAFLTZHEPAW-NRCCEVRQSA-N. The full InChI is InChI=1S/C32H68O6Si4/c1-29(2,3)39(13,14)34-23-25-27(37-41(17,18)31(7,8)9)28(38-42(19,20)32(10,11)12)26(24(35-25)21-22-33)36-40(15,16)30(4,5)6/h21-22,25-28H,23H2,1-20H3/b24-21-/t25-,26+,27-,28-/m1/s1.
What are the key properties of (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde?
(2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde has a molecular weight of 661.23 g/mol, XLogP of 9.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetaldehyde is sourced from PubChem (CID 101106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).