(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal

C17H36O4Si — CID 10806514

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
SMILESCC(C)OC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC(C)C
InChIInChI=1S/C17H36O4Si/c1-13(2)19-16(20-14(3)4)12-15(10-11-18)21-22(8,9)17(5,6)7/h11,13-16H,10,12H2,1-9H3/t15-/m1/s1
InChIKeyVCGZKRYJWNBGOR-OAHLLOKOSA-N
MW332.56 g/mol
LogP4.53
Rot. Bonds10

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal (PubChem CID 10806514) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
PubChem CID10806514
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
SMILESCC(C)OC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC(C)C
InChIInChI=1S/C17H36O4Si/c1-13(2)19-16(20-14(3)4)12-15(10-11-18)21-22(8,9)17(5,6)7/h11,13-16H,10,12H2,1-9H3/t15-/m1/s1
InChIKeyVCGZKRYJWNBGOR-OAHLLOKOSA-N
XLogP4.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.53
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal 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-5,5-di(propan-2-yloxy)pentanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal (CID 10806514) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal is CC(C)OC(C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal?
The InChIKey is VCGZKRYJWNBGOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-13(2)19-16(20-14(3)4)12-15(10-11-18)21-22(8,9)17(5,6)7/h11,13-16H,10,12H2,1-9H3/t15-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal has a molecular weight of 332.56 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal is sourced from PubChem (CID 10806514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).