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

C24H52O4Si2 — CID 91751328

IUPAC1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C24H52O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)28-23(21-26-29(2,3)4)22-27-30(5,6)7/h23H,8-22H2,1-7H3
InChIKeyBBDLUUAQLDZPML-UHFFFAOYSA-N
MW460.85 g/mol
LogP7.69
Rot. Bonds20

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

1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate (PubChem CID 91751328) has the molecular formula C24H52O4Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
PubChem CID91751328
Molecular FormulaC24H52O4Si2
Molecular Weight460.85 g/mol
Exact Mass460.34
IUPAC Name1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C24H52O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)28-23(21-26-29(2,3)4)22-27-30(5,6)7/h23H,8-22H2,1-7H3
InChIKeyBBDLUUAQLDZPML-UHFFFAOYSA-N
XLogP7.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.85
LogP ≤ 57.69
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 decanoate
CID 552918
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 pentadecanoate?
The IUPAC name of 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate (CID 91751328) is 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate?
The canonical SMILES for 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate is CCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate?
The InChIKey is BBDLUUAQLDZPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)28-23(21-26-29(2,3)4)22-27-30(5,6)7/h23H,8-22H2,1-7H3.
What are the key properties of 1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate?
1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate has a molecular weight of 460.85 g/mol, XLogP of 7.69, 20 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 pentadecanoate is sourced from PubChem (CID 91751328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).