(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol

C29H62O2SiSn — CID 10555379

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13,15,18H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;
InChIKeyJFITYKVFSYSQOW-GMSJRHDLSA-N
MW589.61 g/mol
LogP10.04
Rot. Bonds21

About (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol

(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol (PubChem CID 10555379) has the molecular formula C29H62O2SiSn and a molecular weight of 589.61 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
PubChem CID10555379
Molecular FormulaC29H62O2SiSn
Molecular Weight589.61 g/mol
Exact Mass590.35
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13,15,18H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;
InChIKeyJFITYKVFSYSQOW-GMSJRHDLSA-N
XLogP10.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.61
LogP ≤ 510.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-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

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
CID 10815797
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
CID 10853935
(E)-1-tributylstannylhept-2-en-1-ol
CID 14261920
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[(Z,5S,6S)-6-acetyloxy-12-[tert-butyl(dimethyl)silyl]oxydodec-7-en-5-yl] acetate
CID 10573856
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101

Frequently Asked Questions

What is the IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol (CID 10555379) is (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)C(O)/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol?
The InChIKey is JFITYKVFSYSQOW-GMSJRHDLSA-N. The full InChI is InChI=1S/C17H35O2Si.3C4H9.Sn/c1-17(2,3)20(4,5)19-16-14-12-10-8-6-7-9-11-13-15-18;3*1-3-4-2;/h11,13,15,18H,6-10,12,14,16H2,1-5H3;3*1,3-4H2,2H3;/b13-11+;;;;.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol?
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol has a molecular weight of 589.61 g/mol, XLogP of 10.04, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol is sourced from PubChem (CID 10555379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).