(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

C23H44O6Si2 — CID 101106245

IUPAC(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
SMILESCC1(C)OC[C@H]([C@H]2O/C(=C/C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H44O6Si2/c1-21(2,3)30(9,10)28-19-16(13-14-24)26-18(17-15-25-23(7,8)27-17)20(19)29-31(11,12)22(4,5)6/h13-14,17-20H,15H2,1-12H3/b16-13+/t17-,18-,19+,20+/m1/s1
InChIKeyRUXGFOKQDIPHCX-BELXZNSDSA-N
MW472.77 g/mol
LogP5.40
Rot. Bonds6

About (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

(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 (PubChem CID 101106245) has the molecular formula C23H44O6Si2 and a molecular weight of 472.77 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101106245
Molecular FormulaC23H44O6Si2
Molecular Weight472.77 g/mol
Exact Mass472.27
IUPAC Name(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
SMILESCC1(C)OC[C@H]([C@H]2O/C(=C/C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H44O6Si2/c1-21(2,3)30(9,10)28-19-16(13-14-24)26-18(17-15-25-23(7,8)27-17)20(19)29-31(11,12)22(4,5)6/h13-14,17-20H,15H2,1-12H3/b16-13+/t17-,18-,19+,20+/m1/s1
InChIKeyRUXGFOKQDIPHCX-BELXZNSDSA-N
XLogP5.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.77
LogP ≤ 55.40
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

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 10983376
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11328624
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11112155
(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
tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane
CID 11384037
tert-butyl-[(2R,3S,4R,5Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-prop-2-enylideneoxolan-3-yl]oxy-dimethylsilane
CID 101106242
(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
ethyl (Z)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101734973

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)OC[C@H]([C@H]2O/C(=C/C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (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?
The InChIKey is RUXGFOKQDIPHCX-BELXZNSDSA-N. The full InChI is InChI=1S/C23H44O6Si2/c1-21(2,3)30(9,10)28-19-16(13-14-24)26-18(17-15-25-23(7,8)27-17)20(19)29-31(11,12)22(4,5)6/h13-14,17-20H,15H2,1-12H3/b16-13+/t17-,18-,19+,20+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 472.77 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101106245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).