5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol

C17H30O3Si — CID 10957884

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol
SMILESCC(C)(C)[Si](C)(C)OCC(CC#CCO)CCC#CCO
InChIInChI=1S/C17H30O3Si/c1-17(2,3)21(4,5)20-15-16(12-8-10-14-19)11-7-6-9-13-18/h16,18-19H,7,11-15H2,1-5H3
InChIKeyLULWOSWPXBFCAS-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.79
Rot. Bonds6

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol

5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol (PubChem CID 10957884) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol
PubChem CID10957884
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol
SMILESCC(C)(C)[Si](C)(C)OCC(CC#CCO)CCC#CCO
InChIInChI=1S/C17H30O3Si/c1-17(2,3)21(4,5)20-15-16(12-8-10-14-19)11-7-6-9-13-18/h16,18-19H,7,11-15H2,1-5H3
InChIKeyLULWOSWPXBFCAS-UHFFFAOYSA-N
XLogP2.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol with MolForge

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Related Compounds

(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
CID 134860972
(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980914
2-Methyl-6-trimethylsilylhex-5-yn-1-ol
CID 14141636
9-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxynon-4-yn-1-ol
CID 22164928
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol
CID 56834637
[(4S,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581961
[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581981
3-Methyl-7-trimethylsilylhept-6-yn-2-ol
CID 72805357
4-[Tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-yn-1-ol
CID 85825699
4-[Tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-yn-1-ol
CID 85825709

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol (CID 10957884) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol is CC(C)(C)[Si](C)(C)OCC(CC#CCO)CCC#CCO.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol?
The InChIKey is LULWOSWPXBFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-17(2,3)21(4,5)20-15-16(12-8-10-14-19)11-7-6-9-13-18/h16,18-19H,7,11-15H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol has a molecular weight of 310.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol is sourced from PubChem (CID 10957884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).