[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate

C20H42O4Si2 — CID 10501315

IUPAC[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
SMILESC=C(C[C@](C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C20H42O4Si2/c1-16(22-9)14-20(8,24-26(12,13)19(5,6)7)15-17(21)23-25(10,11)18(2,3)4/h1,14-15H2,2-13H3/t20-/m1/s1
InChIKeyMHZGDMPFCSALHB-HXUWFJFHSA-N
MW402.72 g/mol
LogP6.26
Rot. Bonds8

About [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate

[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate (PubChem CID 10501315) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
PubChem CID10501315
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Name[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
SMILESC=C(C[C@](C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C20H42O4Si2/c1-16(22-9)14-20(8,24-26(12,13)19(5,6)7)15-17(21)23-25(10,11)18(2,3)4/h1,14-15H2,2-13H3/t20-/m1/s1
InChIKeyMHZGDMPFCSALHB-HXUWFJFHSA-N
XLogP6.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate 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

Methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 15214226
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
CID 10758542
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
CID 10853612
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 11774031
potassium (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
CID 23678600
potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
CID 23678983
methyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 101029440

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate (CID 10501315) is [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate is C=C(C[C@](C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The InChIKey is MHZGDMPFCSALHB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-16(22-9)14-20(8,24-26(12,13)19(5,6)7)15-17(21)23-25(10,11)18(2,3)4/h1,14-15H2,2-13H3/t20-/m1/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate has a molecular weight of 402.72 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate is sourced from PubChem (CID 10501315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).