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

C17H32O5Si — CID 134838324

IUPAC3-[(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
SMILESCC1(C)OC2C(O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCC=O
InChIInChI=1S/C17H32O5Si/c1-16(2,3)23(6,7)19-11-13-15-14(21-17(4,5)22-15)12(20-13)9-8-10-18/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14?,15?/m0/s1
InChIKeyXCWPPJUBRRXCGQ-ZUJMUWTESA-N
MW344.52 g/mol
LogP3.27
Rot. Bonds6

About 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

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 (PubChem CID 134838324) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID134838324
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name3-[(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
SMILESCC1(C)OC2C(O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCC=O
InChIInChI=1S/C17H32O5Si/c1-16(2,3)23(6,7)19-11-13-15-14(21-17(4,5)22-15)12(20-13)9-8-10-18/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14?,15?/m0/s1
InChIKeyXCWPPJUBRRXCGQ-ZUJMUWTESA-N
XLogP3.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
CID 10475277
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
(5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10782678
(4R,5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(2R)-5-oxooxolan-2-yl]methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11024765
2-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]acetaldehyde
CID 11047004
(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
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
CID 11145860
2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetaldehyde
CID 11221221
(2S)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
CID 11740880
4-[(4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11961781
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 12186438

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OC2C(O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2CCC=O.
What is the InChIKey of 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?
The InChIKey is XCWPPJUBRRXCGQ-ZUJMUWTESA-N. The full InChI is InChI=1S/C17H32O5Si/c1-16(2,3)23(6,7)19-11-13-15-14(21-17(4,5)22-15)12(20-13)9-8-10-18/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14?,15?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 344.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134838324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).