(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol

C14H24O2Si — CID 11747133

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
SMILESC#CC#CC(O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-8-9-10-13(15)11-12(2)16-17(6,7)14(3,4)5/h1,12-13,15H,11H2,2-7H3/t12-,13?/m0/s1
InChIKeyMVMVVACRGFYSLD-UEWDXFNNSA-N
MW252.43 g/mol
LogP2.78
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol

(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol (PubChem CID 11747133) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
PubChem CID11747133
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
SMILESC#CC#CC(O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O2Si/c1-8-9-10-13(15)11-12(2)16-17(6,7)14(3,4)5/h1,12-13,15H,11H2,2-7H3/t12-,13?/m0/s1
InChIKeyMVMVVACRGFYSLD-UEWDXFNNSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butanol, 3-t-butyldimethylsilyloxy-
CID 554645
1-Butanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3R)-
CID 11052750
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
(S)-4-(tert-butyldimethylsilyloxy)butan-2-ol
CID 10998136
4-((tert-Butyldimethylsilyl)oxy)butan-2-ol
CID 11019995
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
(2S,4R)-4-((tert-Butyldimethylsilyl)oxy)pentan-2-ol
CID 89120813
(2R,4R)-4-((tert-Butyldimethylsilyl)oxy)pentan-2-ol
CID 129405182
4-[Tert-butyl(dimethyl)silyl]oxypent-2-yn-1-ol
CID 10680169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol (CID 11747133) is (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol is C#CC#CC(O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol?
The InChIKey is MVMVVACRGFYSLD-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-8-9-10-13(15)11-12(2)16-17(6,7)14(3,4)5/h1,12-13,15H,11H2,2-7H3/t12-,13?/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol has a molecular weight of 252.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol is sourced from PubChem (CID 11747133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).