1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol

C27H58O2Si — CID 168831338

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-29-30(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3
InChIKeyYCVVZGXMTTYQND-UHFFFAOYSA-N
MW442.85 g/mol
LogP9.41
Rot. Bonds21

About 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol (PubChem CID 168831338) has the molecular formula C27H58O2Si and a molecular weight of 442.85 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
PubChem CID168831338
Molecular FormulaC27H58O2Si
Molecular Weight442.85 g/mol
Exact Mass442.42
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-29-30(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3
InChIKeyYCVVZGXMTTYQND-UHFFFAOYSA-N
XLogP9.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol 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)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
(2S,3S,4R)-2-amino-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]octadecan-4-ol
CID 10864535
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
1-[(2-methylpropan-2-yl)oxy]nonan-2-ol
CID 105084981

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol (CID 168831338) is 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol is CCCCCCCCCCCCCCCCCCCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol?
The InChIKey is YCVVZGXMTTYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-29-30(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol has a molecular weight of 442.85 g/mol, XLogP of 9.41, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol is sourced from PubChem (CID 168831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).