2,3-bis(trimethylsilyloxy)propyl nonadecanoate

C28H60O4Si2 — CID 634380

IUPAC2,3-bis(trimethylsilyloxy)propyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H60O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-25-27(32-34(5,6)7)26-31-33(2,3)4/h27H,8-26H2,1-7H3
InChIKeyINTFZPSBLUNHND-UHFFFAOYSA-N
MW516.96 g/mol
LogP9.25
Rot. Bonds24

About 2,3-bis(trimethylsilyloxy)propyl nonadecanoate

2,3-bis(trimethylsilyloxy)propyl nonadecanoate (PubChem CID 634380) has the molecular formula C28H60O4Si2 and a molecular weight of 516.96 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl nonadecanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl nonadecanoate
PubChem CID634380
Molecular FormulaC28H60O4Si2
Molecular Weight516.96 g/mol
Exact Mass516.40
IUPAC Name2,3-bis(trimethylsilyloxy)propyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H60O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-25-27(32-34(5,6)7)26-31-33(2,3)4/h27H,8-26H2,1-7H3
InChIKeyINTFZPSBLUNHND-UHFFFAOYSA-N
XLogP9.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.96
LogP ≤ 59.25
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

(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 91751325
2,3-bis(trimethylsilyloxy)propyl 14-methylheptadecanoate
CID 91747627
2,3-bis(trimethylsilyloxy)propyl 14-methylhexadecanoate
CID 91747628
1,3-bis(trimethylsilyloxy)propan-2-yl pentadecanoate
CID 91751328
1,3-bis(trimethylsilyloxy)propan-2-yl decanoate
CID 552918
[2-[10-[(1S,2R)-2-pentylcyclopropyl]decanoyloxy]-3-trimethylsilyloxypropyl] pentadecanoate
CID 91749540
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] icosanoate
CID 131754071
(2-octadecoxy-3-tetracosanoyloxypropyl) tetracosanoate
CID 131758543
(2-heptacosanoyloxy-3-hexadecanoyloxypropyl) heptacosanoate
CID 165185426
[(2S)-1-heptadecanoyloxy-3-tetradecanoyloxypropan-2-yl] docosanoate
CID 131808878
(2-icosanoyloxy-3-nonadecanoyloxypropyl) tricosanoate
CID 165222127
(2-docosanoyloxy-3-nonadecanoyloxypropyl) dotriacontanoate
CID 165319979

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl nonadecanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl nonadecanoate (CID 634380) is 2,3-bis(trimethylsilyloxy)propyl nonadecanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl nonadecanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl nonadecanoate is CCCCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl nonadecanoate?
The InChIKey is INTFZPSBLUNHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-25-27(32-34(5,6)7)26-31-33(2,3)4/h27H,8-26H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl nonadecanoate?
2,3-bis(trimethylsilyloxy)propyl nonadecanoate has a molecular weight of 516.96 g/mol, XLogP of 9.25, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl nonadecanoate is sourced from PubChem (CID 634380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).