(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol

C16H30O3Si — CID 11472058

IUPAC(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@@H](O)CCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-14(17)13-15(18)11-9-8-10-12-19-20(5,6)16(2,3)4/h7,14-15,17-18H,1,9,11-13H2,2-6H3/t14-,15+/m1/s1
InChIKeyXZEPEZDQKKLLBA-CABCVRRESA-N
MW298.50 g/mol
LogP3.09
Rot. Bonds7

About (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol

(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol (PubChem CID 11472058) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol.

Molecular Properties

Compound Name(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
PubChem CID11472058
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@@H](O)CCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-7-14(17)13-15(18)11-9-8-10-12-19-20(5,6)16(2,3)4/h7,14-15,17-18H,1,9,11-13H2,2-6H3/t14-,15+/m1/s1
InChIKeyXZEPEZDQKKLLBA-CABCVRRESA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol?
The IUPAC name of (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol (CID 11472058) is (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol.
What is the SMILES notation for (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol?
The canonical SMILES for (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol is C=C[C@@H](O)C[C@@H](O)CCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol?
The InChIKey is XZEPEZDQKKLLBA-CABCVRRESA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-14(17)13-15(18)11-9-8-10-12-19-20(5,6)16(2,3)4/h7,14-15,17-18H,1,9,11-13H2,2-6H3/t14-,15+/m1/s1.
What are the key properties of (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol?
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol has a molecular weight of 298.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol is sourced from PubChem (CID 11472058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).