[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate

C20H40O4Si — CID 11773168

IUPAC[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate
SMILESCC(=O)OC1O[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C
InChIInChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)22-12-17(8)19-11-10-16(7)20(24-19)23-18(9)21/h13-17,19-20H,10-12H2,1-9H3/t16-,17+,19-,20?/m0/s1
InChIKeyYMLYAQGZYCVNJQ-ZCQXEVHSSA-N
MW372.62 g/mol
LogP5.52
Rot. Bonds8

About [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate

[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate (PubChem CID 11773168) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate.

Molecular Properties

Compound Name[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate
PubChem CID11773168
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate
SMILESCC(=O)OC1O[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C
InChIInChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)22-12-17(8)19-11-10-16(7)20(24-19)23-18(9)21/h13-17,19-20H,10-12H2,1-9H3/t16-,17+,19-,20?/m0/s1
InChIKeyYMLYAQGZYCVNJQ-ZCQXEVHSSA-N
XLogP5.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate 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

6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl acetate
CID 46894693
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl acetate
CID 145864776
TBDMS(-7)2,4,6-deoxy-a-D-eryHept1Ac3Me
CID 145945200
[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
CID 11618260
methyl 2-[(2R,3S,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]acetate
CID 9997775
Methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]acetate
CID 10043265
[(1S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl] acetate
CID 10872406
methyl 2-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]acetate
CID 11371420
[3,5-Diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
CID 58435425
tert-butyl-[(2R,3R,4S)-2-[(2S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-4-methylhexan-3-yl]oxy-dimethylsilane
CID 60066555
[(2S,4S,5R)-6-(methoxymethyl)-2,4-dimethyl-5-(2-trimethylsilylethoxymethoxy)oxan-3-yl] acetate
CID 60092395
[(2R,4S,5R)-3-acetyloxy-2-[(2R,5S)-4,5-diacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]oxy-6-ethyl-5-methyloxan-4-yl] acetate
CID 70905930

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate?
The IUPAC name of [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate (CID 11773168) is [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate.
What is the SMILES notation for [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate?
The canonical SMILES for [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate is CC(=O)OC1O[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C.
What is the InChIKey of [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate?
The InChIKey is YMLYAQGZYCVNJQ-ZCQXEVHSSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-13(2)25(14(3)4,15(5)6)22-12-17(8)19-11-10-16(7)20(24-19)23-18(9)21/h13-17,19-20H,10-12H2,1-9H3/t16-,17+,19-,20?/m0/s1.
What are the key properties of [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate?
[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate has a molecular weight of 372.62 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate is sourced from PubChem (CID 11773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).