(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol

C13H24O2Si — CID 10466844

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol
SMILESC#C/C=C(\C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-9-11(2)12(14)10-15-16(6,7)13(3,4)5/h1,9,12,14H,10H2,2-7H3/b11-9+/t12-/m1/s1
InChIKeyJXIQFEQZXJLTKW-LMMOQWNQSA-N
MW240.42 g/mol
LogP2.95
Rot. Bonds4

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol (PubChem CID 10466844) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol
PubChem CID10466844
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol
SMILESC#C/C=C(\C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-8-9-11(2)12(14)10-15-16(6,7)13(3,4)5/h1,9,12,14H,10H2,2-7H3/b11-9+/t12-/m1/s1
InChIKeyJXIQFEQZXJLTKW-LMMOQWNQSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.95
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

(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4-fluorohept-4-en-1-yn-3-ol
CID 20063419
7-(Tert-butyldimethylsilyloxy)-4-fluoro-3-hydroxy-4-hepten-1-yne
CID 53888854
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-3,6-dien-2-ol
CID 14494227
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(E)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylnon-3-en-5-yne-2,7-diol
CID 134887719
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
CID 134972072
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-1-ol
CID 146161390
(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-3-ol
CID 146162737
(2s,5s,z)-6-[(t-Butyldimethylsilyl)oxy]-2-methylhex-3-ene-1,2,5-triol
CID 154585840
(2s,5s,z)-5-[(t-Butyldimethylsilyl)oxy]-2-methylhex-3-ene-1,2,6-triol
CID 154585841
(Z)-8-trimethylsilyl-3-(4-trimethylsilylbuta-1,3-diynyl)oct-3-en-5,7-diyne-1,2-diol
CID 21638253

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol (CID 10466844) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol is C#C/C=C(\C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol?
The InChIKey is JXIQFEQZXJLTKW-LMMOQWNQSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-8-9-11(2)12(14)10-15-16(6,7)13(3,4)5/h1,9,12,14H,10H2,2-7H3/b11-9+/t12-/m1/s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol has a molecular weight of 240.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 10466844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).