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

C12H26O2Si — CID 11413584

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

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

(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol (PubChem CID 11413584) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol
PubChem CID11413584
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol
SMILESC=C[C@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10(2)11(13)9-14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m0/s1
InChIKeyRZMKWPFIUOJBNR-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol (CID 11413584) is (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol is C=C[C@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol?
The InChIKey is RZMKWPFIUOJBNR-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-10(2)11(13)9-14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol?
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-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 (2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-en-2-ol is sourced from PubChem (CID 11413584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).