(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol

C18H40O2Si — CID 44550775

IUPAC(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol
SMILESC[C@@H](CCCCCCCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(20-21(5,6)18(2,3)4)15-13-11-9-7-8-10-12-14-16-19/h17,19H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyUNDXILACWZBJLC-KRWDZBQOSA-N
MW316.60 g/mol
LogP5.90
Rot. Bonds12

About (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol

(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol (PubChem CID 44550775) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol.

Molecular Properties

Compound Name(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol
PubChem CID44550775
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol
SMILESC[C@@H](CCCCCCCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(20-21(5,6)18(2,3)4)15-13-11-9-7-8-10-12-14-16-19/h17,19H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyUNDXILACWZBJLC-KRWDZBQOSA-N
XLogP5.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.90
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 (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-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

Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyldi(2-octyloxy)-
CID 85708223
(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
2-nonanol, tBDMS
CID 6430237
1-Octanol, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11043515
10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
7-(tert-Butyl-dimethyl-silanyloxy)-heptan-1-ol
CID 11481999
9-((tert-Butyldimethylsilyl)oxy)nonan-1-ol
CID 14521701
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
1-Trimethylsilylundecan-1-ol
CID 12842298
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111

Frequently Asked Questions

What is the IUPAC name of (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol?
The IUPAC name of (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol (CID 44550775) is (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol.
What is the SMILES notation for (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol?
The canonical SMILES for (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol is C[C@@H](CCCCCCCCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol?
The InChIKey is UNDXILACWZBJLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-17(20-21(5,6)18(2,3)4)15-13-11-9-7-8-10-12-14-16-19/h17,19H,7-16H2,1-6H3/t17-/m0/s1.
What are the key properties of (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol?
(11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol has a molecular weight of 316.60 g/mol, XLogP of 5.90, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-[tert-butyl(dimethyl)silyl]oxydodecan-1-ol is sourced from PubChem (CID 44550775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).