CID 11135215

C19H26O4SiW+ — CID 11135215

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]C#CC(C)O[Si](C)(C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C11H21OSi.C5H5.3CO.W/c1-8-9-10(2)12-13(6,7)11(3,4)5;1-2-4-5-3-1;3*1-2;/h10H,1H2,2-7H3;1-5H;;;;/q-1;;;;;+2
InChIKeySBHAPTQJMMIMDH-UHFFFAOYSA-N
MW530.34 g/mol
LogP4.14
Rot. Bonds2

About CID 11135215

CID 11135215 (PubChem CID 11135215) has the molecular formula C19H26O4SiW+ and a molecular weight of 530.34 g/mol.

Molecular Properties

Compound NameCID 11135215
PubChem CID11135215
Molecular FormulaC19H26O4SiW+
Molecular Weight530.34 g/mol
Exact Mass530.11
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]C#CC(C)O[Si](C)(C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C11H21OSi.C5H5.3CO.W/c1-8-9-10(2)12-13(6,7)11(3,4)5;1-2-4-5-3-1;3*1-2;/h10H,1H2,2-7H3;1-5H;;;;/q-1;;;;;+2
InChIKeySBHAPTQJMMIMDH-UHFFFAOYSA-N
XLogP4.14
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 11966927
CID 11966927
tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
CID 11223738
lithium tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867151
tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
CID 100936531
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
CID 15019528
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-12,12-dimethoxydodec-3-yn-6-ol
CID 10894040
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561

Frequently Asked Questions

What is the IUPAC name of CID 11135215?
The IUPAC name of CID 11135215 (CID 11135215) is not available.
What is the SMILES notation for CID 11135215?
The canonical SMILES for CID 11135215 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]C#CC(C)O[Si](C)(C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[W+2].
What is the InChIKey of CID 11135215?
The InChIKey is SBHAPTQJMMIMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OSi.C5H5.3CO.W/c1-8-9-10(2)12-13(6,7)11(3,4)5;1-2-4-5-3-1;3*1-2;/h10H,1H2,2-7H3;1-5H;;;;/q-1;;;;;+2.
What are the key properties of CID 11135215?
CID 11135215 has a molecular weight of 530.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11135215 is sourced from PubChem (CID 11135215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).