(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal

C26H52O7Si2 — CID 11060501

IUPAC(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal
SMILESCC1(C)O[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C26H52O7Si2/c1-23(2,3)34(11,12)32-18(15-16-27)21(33-35(13,14)24(4,5)6)22-20(30-26(9,10)31-22)19-17-28-25(7,8)29-19/h16,18-22H,15,17H2,1-14H3/t18-,19+,20+,21-,22-/m0/s1
InChIKeyHEKLQSSOMIWEGL-MNVIUDHYSA-N
MW532.87 g/mol
LogP6.03
Rot. Bonds9

About (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal

(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal (PubChem CID 11060501) has the molecular formula C26H52O7Si2 and a molecular weight of 532.87 g/mol. Its IUPAC name is (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal.

Molecular Properties

Compound Name(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal
PubChem CID11060501
Molecular FormulaC26H52O7Si2
Molecular Weight532.87 g/mol
Exact Mass532.33
IUPAC Name(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal
SMILESCC1(C)O[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C26H52O7Si2/c1-23(2,3)34(11,12)32-18(15-16-27)21(33-35(13,14)24(4,5)6)22-20(30-26(9,10)31-22)19-17-28-25(7,8)29-19/h16,18-22H,15,17H2,1-14H3/t18-,19+,20+,21-,22-/m0/s1
InChIKeyHEKLQSSOMIWEGL-MNVIUDHYSA-N
XLogP6.03
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.87
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
3-[(4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanal
CID 134838324
(2S,3R)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxirane-2-carbaldehyde
CID 164674990
2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89338520
2-[5-[(1S)-1,3-dihydroxy-2-triethylsilyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89372031
(2S,3R)-3-[(2S,3S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxirane-2-carbaldehyde
CID 173835884
(5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one
CID 10527291
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
(3aR,4R,7aR)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 10600525
(5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-one
CID 10646971
methyl (4R,5S)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,3-trideuterio-3-oxopropyl]-4,5-dideuterio-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10696141

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal?
The IUPAC name of (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal (CID 11060501) is (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal.
What is the SMILES notation for (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal?
The canonical SMILES for (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal is CC1(C)O[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[Si](C)(C)C(C)(C)C)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal?
The InChIKey is HEKLQSSOMIWEGL-MNVIUDHYSA-N. The full InChI is InChI=1S/C26H52O7Si2/c1-23(2,3)34(11,12)32-18(15-16-27)21(33-35(13,14)24(4,5)6)22-20(30-26(9,10)31-22)19-17-28-25(7,8)29-19/h16,18-22H,15,17H2,1-14H3/t18-,19+,20+,21-,22-/m0/s1.
What are the key properties of (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal?
(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal has a molecular weight of 532.87 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanal is sourced from PubChem (CID 11060501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).