(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal

C15H30O3Si — CID 125450427

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal
SMILESCC(C)(C)[Si](C)(C)O[C@](C)(CC=O)C1CCOCC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(4,9-10-16)13-7-11-17-12-8-13/h10,13H,7-9,11-12H2,1-6H3/t15-/m1/s1
InChIKeyVNGMSKGCJSSWLB-OAHLLOKOSA-N
MW286.49 g/mol
LogP3.78
Rot. Bonds5

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal (PubChem CID 125450427) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal
PubChem CID125450427
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal
SMILESCC(C)(C)[Si](C)(C)O[C@](C)(CC=O)C1CCOCC1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(4,9-10-16)13-7-11-17-12-8-13/h10,13H,7-9,11-12H2,1-6H3/t15-/m1/s1
InChIKeyVNGMSKGCJSSWLB-OAHLLOKOSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal (CID 125450427) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal is CC(C)(C)[Si](C)(C)O[C@](C)(CC=O)C1CCOCC1.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal?
The InChIKey is VNGMSKGCJSSWLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,3)19(5,6)18-15(4,9-10-16)13-7-11-17-12-8-13/h10,13H,7-9,11-12H2,1-6H3/t15-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal has a molecular weight of 286.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-4-yl)butanal is sourced from PubChem (CID 125450427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).