(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

C32H68O6Si4 — CID 11158110

IUPAC(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
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O/C(=C\C=O)[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(36-40(15,16)30(4,5)6)26-28(38-42(19,20)32(10,11)12)27(24(35-26)21-22-33)37-41(17,18)31(7,8)9/h21-22,25-28H,23H2,1-20H3/b24-21-/t25-,26-,27+,28+/m1/s1
InChIKeyFRRQRKJMNWLSOG-YKYUOOJTSA-N
MW661.23 g/mol
LogP9.66
Rot. Bonds11

About (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

(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 (PubChem CID 11158110) has the molecular formula C32H68O6Si4 and a molecular weight of 661.23 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11158110
Molecular FormulaC32H68O6Si4
Molecular Weight661.23 g/mol
Exact Mass660.41
IUPAC Name(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
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O/C(=C\C=O)[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(36-40(15,16)30(4,5)6)26-28(38-42(19,20)32(10,11)12)27(24(35-26)21-22-33)37-41(17,18)31(7,8)9/h21-22,25-28H,23H2,1-20H3/b24-21-/t25-,26-,27+,28+/m1/s1
InChIKeyFRRQRKJMNWLSOG-YKYUOOJTSA-N
XLogP9.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
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'}

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Related Compounds

[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10952445
[(2S,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 101106240
(2Z)-2-[(3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-ylidene]acetaldehyde
CID 101106244
(2E)-2-[(3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-ylidene]acetaldehyde
CID 101106245
(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
(3Z)-3-[(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]propan-1-ol
CID 101106250
tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate
CID 102592527

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O/C(=C\C=O)[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)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde?
The InChIKey is FRRQRKJMNWLSOG-YKYUOOJTSA-N. The full InChI is InChI=1S/C32H68O6Si4/c1-29(2,3)39(13,14)34-23-25(36-40(15,16)30(4,5)6)26-28(38-42(19,20)32(10,11)12)27(24(35-26)21-22-33)37-41(17,18)31(7,8)9/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)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde?
(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 has a molecular weight of 661.23 g/mol, XLogP of 9.66, 11 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)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde is sourced from PubChem (CID 11158110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).