(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol

C12H26O2Si — CID 11615558

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C12H26O2Si/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m0/s1
InChIKeyAOKVWPJLQUCEEV-QWRGUYRKSA-N
MW230.42 g/mol
LogP3.19
Rot. Bonds5

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol (PubChem CID 11615558) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol
PubChem CID11615558
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C12H26O2Si/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m0/s1
InChIKeyAOKVWPJLQUCEEV-QWRGUYRKSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 17795838
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
5-[(tert-Butyldimethylsilyl)oxy]pent-1-en-3-ol
CID 12184694
2-(Trimethylsilylmethyl)pent-4-en-1-ol
CID 15248223

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol (CID 11615558) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol?
The InChIKey is AOKVWPJLQUCEEV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol is sourced from PubChem (CID 11615558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).