1,3-bis(trimethylsilyloxy)propan-2-yl decanoate

C19H42O4Si2 — CID 552918

IUPAC1,3-bis(trimethylsilyloxy)propan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)23-18(16-21-24(2,3)4)17-22-25(5,6)7/h18H,8-17H2,1-7H3
InChIKeySTBQJQZMNVLJEL-UHFFFAOYSA-N
MW390.71 g/mol
LogP5.74
Rot. Bonds15

About 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate

1,3-bis(trimethylsilyloxy)propan-2-yl decanoate (PubChem CID 552918) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyloxy)propan-2-yl decanoate
PubChem CID552918
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Name1,3-bis(trimethylsilyloxy)propan-2-yl decanoate
SMILESCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)23-18(16-21-24(2,3)4)17-22-25(5,6)7/h18H,8-17H2,1-7H3
InChIKeySTBQJQZMNVLJEL-UHFFFAOYSA-N
XLogP5.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
CID 91751328
1,3-bis(trimethylsilyloxy)propan-2-yl (9E,12E)-octadeca-9,12-dienoate
CID 5377604
[2-[10-[(1S,2R)-2-pentylcyclopropyl]decanoyloxy]-3-trimethylsilyloxypropyl] pentadecanoate
CID 91749540
2,3-bis(trimethylsilyloxy)propyl nonadecanoate
CID 634380
[(2R)-2-decanoyloxy-3-tetradecanoyloxypropyl] hexadecanoate
CID 131811697
[(2S)-3-pentadecanoyloxy-2-tetradecanoyloxypropyl] nonadecanoate
CID 131809789
(3-henicosanoyloxy-2-tetracosanoyloxypropyl) octacosanoate
CID 165268158
[(2S)-1-icosanoyloxy-3-octadecanoyloxypropan-2-yl] henicosanoate
CID 131817339
(3-hexadecanoyloxy-2-octadecanoyloxypropyl) pentatriacontanoate
CID 165297758
(3-hexadecanoyloxy-2-pentadecanoyloxypropyl) hexadecanoate
CID 131754970
(3-heptadecanoyloxy-2-octacosanoyloxypropyl) octacosanoate
CID 165213854
[(2R)-1-nonadecanoyloxy-3-tridecanoyloxypropan-2-yl] docosanoate
CID 131771074

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate?
The IUPAC name of 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate (CID 552918) is 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate?
The canonical SMILES for 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate is CCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate?
The InChIKey is STBQJQZMNVLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)23-18(16-21-24(2,3)4)17-22-25(5,6)7/h18H,8-17H2,1-7H3.
What are the key properties of 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate?
1,3-bis(trimethylsilyloxy)propan-2-yl decanoate has a molecular weight of 390.71 g/mol, XLogP of 5.74, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyloxy)propan-2-yl decanoate is sourced from PubChem (CID 552918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).