[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate

C25H52O4Si — CID 176809015

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate
SMILESCCCCCCCCCCC(=O)OCCCC(CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si/c1-7-8-9-10-11-12-13-14-19-24(27)28-21-16-18-23(17-15-20-26)22-29-30(5,6)25(2,3)4/h23,26H,7-22H2,1-6H3
InChIKeyVWOCJPFADOSTAT-UHFFFAOYSA-N
MW444.77 g/mol
LogP7.25
Rot. Bonds19

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate (PubChem CID 176809015) has the molecular formula C25H52O4Si and a molecular weight of 444.77 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate
PubChem CID176809015
Molecular FormulaC25H52O4Si
Molecular Weight444.77 g/mol
Exact Mass444.36
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate
SMILESCCCCCCCCCCC(=O)OCCCC(CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si/c1-7-8-9-10-11-12-13-14-19-24(27)28-21-16-18-23(17-15-20-26)22-29-30(5,6)25(2,3)4/h23,26H,7-22H2,1-6H3
InChIKeyVWOCJPFADOSTAT-UHFFFAOYSA-N
XLogP7.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.77
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate 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

[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
CID 142613828
2-octyldodecyl 18-hydroxyoctadecanoate
CID 87278685
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
9-hydroxynonyl nonanoate
CID 171474972
16-hydroxyhexadecyl dodecanoate
CID 166098146
34-hydroxytetratriacontyl dodecanoate
CID 166097619
12-hydroxydodecyl icosanoate
CID 170849788
1-O-dodecyl 10-O-(2-propylpentyl) decanedioate
CID 91728885
4-methyloctyl octanoate
CID 177339666

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate (CID 176809015) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate is CCCCCCCCCCC(=O)OCCCC(CCCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate?
The InChIKey is VWOCJPFADOSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O4Si/c1-7-8-9-10-11-12-13-14-19-24(27)28-21-16-18-23(17-15-20-26)22-29-30(5,6)25(2,3)4/h23,26H,7-22H2,1-6H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate has a molecular weight of 444.77 g/mol, XLogP of 7.25, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate is sourced from PubChem (CID 176809015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).