(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal

C18H36O4Si — CID 134870777

IUPAC(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-16(2,3)13(11-19)15(14-12-20-18(7,8)21-14)22-23(9,10)17(4,5)6/h11,13-15H,12H2,1-10H3/t13-,14-,15+/m1/s1
InChIKeyPWKOTRTXXYXJTH-KFWWJZLASA-N
MW344.57 g/mol
LogP4.39
Rot. Bonds5

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

(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal (PubChem CID 134870777) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal.

Molecular Properties

Compound Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal
PubChem CID134870777
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)C(C)(C)C)O1
InChIInChI=1S/C18H36O4Si/c1-16(2,3)13(11-19)15(14-12-20-18(7,8)21-14)22-23(9,10)17(4,5)6/h11,13-15H,12H2,1-10H3/t13-,14-,15+/m1/s1
InChIKeyPWKOTRTXXYXJTH-KFWWJZLASA-N
XLogP4.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanoic acid
CID 134916810
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 59071259
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhexan-3-one
CID 159714620
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(2R)-2-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 10882107
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 11023064
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 11109445
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 135665356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal?
The IUPAC name of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal (CID 134870777) is (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal.
What is the SMILES notation for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal?
The canonical SMILES for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal is CC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)C(C)(C)C)O1.
What is the InChIKey of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal?
The InChIKey is PWKOTRTXXYXJTH-KFWWJZLASA-N. The full InChI is InChI=1S/C18H36O4Si/c1-16(2,3)13(11-19)15(14-12-20-18(7,8)21-14)22-23(9,10)17(4,5)6/h11,13-15H,12H2,1-10H3/t13-,14-,15+/m1/s1.
What are the key properties of (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal?
(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal has a molecular weight of 344.57 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal is sourced from PubChem (CID 134870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).