[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate

C28H60O7Si3 — CID 609205

IUPAC[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C28H60O7Si3/c1-12-13-14-15-16-17-18-19-20-21-24(29)31-22-23-25(33-36(3,4)5)26(34-37(6,7)8)27(28(30-2)32-23)35-38(9,10)11/h23,25-28H,12-22H2,1-11H3
InChIKeyQFEBBPGJKWUNQN-UHFFFAOYSA-N
MW593.04 g/mol
LogP7.48
Rot. Bonds19

About [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate

[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate (PubChem CID 609205) has the molecular formula C28H60O7Si3 and a molecular weight of 593.04 g/mol. Its IUPAC name is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate.

Molecular Properties

Compound Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate
PubChem CID609205
Molecular FormulaC28H60O7Si3
Molecular Weight593.04 g/mol
Exact Mass592.36
IUPAC Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C28H60O7Si3/c1-12-13-14-15-16-17-18-19-20-21-24(29)31-22-23-25(33-36(3,4)5)26(34-37(6,7)8)27(28(30-2)32-23)35-38(9,10)11/h23,25-28H,12-22H2,1-11H3
InChIKeyQFEBBPGJKWUNQN-UHFFFAOYSA-N
XLogP7.48
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.04
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4S,5R,6R)-4,5-di(dodecanoyloxy)-6-methoxyoxan-3-yl] dodecanoate
CID 16091492
[(3S,4S,5R,6S)-4,5-di(dodecanoyloxy)-6-methoxyoxan-3-yl] dodecanoate
CID 16091493
[(2S)-2-dodecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropyl] dodecanoate
CID 127025857
2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl acetate
CID 46894693
8-methoxycarbonyloctyl 2,4-di-O-acetyl-3,6-di-O-methyl-beta-d-glucopyranoside
CID 129877993
Ethyl (2R,3S)-2-(tetrahydro-2H-pyran-2-yloxy)-3-(triisopropylsiloxy)decanoate
CID 132427757
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 134867142
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3-methylpentanoate
CID 135000268
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate
CID 135006097
(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
CID 138983144
methyl 6-O-hexanoyl-2,3,4-tri-O-stearoyl-alpha-d-galactopyranoside
CID 164608723

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate?
The IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate (CID 609205) is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate.
What is the SMILES notation for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate?
The canonical SMILES for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate is CCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate?
The InChIKey is QFEBBPGJKWUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O7Si3/c1-12-13-14-15-16-17-18-19-20-21-24(29)31-22-23-25(33-36(3,4)5)26(34-37(6,7)8)27(28(30-2)32-23)35-38(9,10)11/h23,25-28H,12-22H2,1-11H3.
What are the key properties of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate?
[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate has a molecular weight of 593.04 g/mol, XLogP of 7.48, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl dodecanoate is sourced from PubChem (CID 609205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).