[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate

C29H62O5Si2 — CID 58822515

IUPAC[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
SMILESCCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)O
InChIInChI=1S/C29H62O5Si2/c1-17-25(31)32-19-22(4)26(33-35(13,14)28(7,8)9)20(2)18-21(3)27(23(5)24(6)30)34-36(15,16)29(10,11)12/h20-24,26-27,30H,17-19H2,1-16H3
InChIKeyZJOFXEIXJIHJNG-UHFFFAOYSA-N
MW546.98 g/mol
LogP8.04
Rot. Bonds14

About [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate

[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate (PubChem CID 58822515) has the molecular formula C29H62O5Si2 and a molecular weight of 546.98 g/mol. Its IUPAC name is [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate.

Molecular Properties

Compound Name[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
PubChem CID58822515
Molecular FormulaC29H62O5Si2
Molecular Weight546.98 g/mol
Exact Mass546.41
IUPAC Name[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
SMILESCCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)O
InChIInChI=1S/C29H62O5Si2/c1-17-25(31)32-19-22(4)26(33-35(13,14)28(7,8)9)20(2)18-21(3)27(23(5)24(6)30)34-36(15,16)29(10,11)12/h20-24,26-27,30H,17-19H2,1-16H3
InChIKeyZJOFXEIXJIHJNG-UHFFFAOYSA-N
XLogP8.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.98
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate 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

CID 58876335
CID 58876335
CID 11257624
CID 11257624
CID 134931595
CID 134931595
CID 138981466
CID 138981466
CID 10566302
CID 10566302
CID 10661034
CID 10661034
CID 10684791
CID 10684791
CID 10850917
CID 10850917
CID 11826692
CID 11826692
CID 22855816
CID 22855816
CID 57788445
CID 57788445
CID 58762139
CID 58762139

Frequently Asked Questions

What is the IUPAC name of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate?
The IUPAC name of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate (CID 58822515) is [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate.
What is the SMILES notation for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate?
The canonical SMILES for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate is CCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)O.
What is the InChIKey of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate?
The InChIKey is ZJOFXEIXJIHJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O5Si2/c1-17-25(31)32-19-22(4)26(33-35(13,14)28(7,8)9)20(2)18-21(3)27(23(5)24(6)30)34-36(15,16)29(10,11)12/h20-24,26-27,30H,17-19H2,1-16H3.
What are the key properties of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate?
[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate has a molecular weight of 546.98 g/mol, XLogP of 8.04, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate is sourced from PubChem (CID 58822515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).