(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal

C15H30O5Si — CID 10734348

IUPAC(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC1(C)OC[C@H](C[C@@H](CC=O)OCOCC[Si](C)(C)C)O1
InChIInChI=1S/C15H30O5Si/c1-15(2)19-11-14(20-15)10-13(6-7-16)18-12-17-8-9-21(3,4)5/h7,13-14H,6,8-12H2,1-5H3/t13-,14+/m1/s1
InChIKeyUMAFBLVTIAUFPR-KGLIPLIRSA-N
MW318.49 g/mol
LogP2.81
Rot. Bonds10

About (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal

(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal (PubChem CID 10734348) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal.

Molecular Properties

Compound Name(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal
PubChem CID10734348
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal
SMILESCC1(C)OC[C@H](C[C@@H](CC=O)OCOCC[Si](C)(C)C)O1
InChIInChI=1S/C15H30O5Si/c1-15(2)19-11-14(20-15)10-13(6-7-16)18-12-17-8-9-21(3,4)5/h7,13-14H,6,8-12H2,1-5H3/t13-,14+/m1/s1
InChIKeyUMAFBLVTIAUFPR-KGLIPLIRSA-N
XLogP2.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 15271273
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050
(3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybutanal
CID 88553327
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
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]acetaldehyde
CID 10041483
2-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetaldehyde
CID 10615369
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 10828232
2-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10902736
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11067119
2-[(3aS,4R,6S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetaldehyde
CID 11130902
(4R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11771103

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal?
The IUPAC name of (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal (CID 10734348) is (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal.
What is the SMILES notation for (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal?
The canonical SMILES for (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal is CC1(C)OC[C@H](C[C@@H](CC=O)OCOCC[Si](C)(C)C)O1.
What is the InChIKey of (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal?
The InChIKey is UMAFBLVTIAUFPR-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-15(2)19-11-14(20-15)10-13(6-7-16)18-12-17-8-9-21(3,4)5/h7,13-14H,6,8-12H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal?
(3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal has a molecular weight of 318.49 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-trimethylsilylethoxymethoxy)butanal is sourced from PubChem (CID 10734348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).