(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol

C13H28O2Si — CID 158968667

IUPAC(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol
SMILESC=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C13H28O2Si/c1-8-9-12(11(2)14)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyJNNKSTZIMYJSBZ-NWDGAFQWSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds6

About (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol

(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol (PubChem CID 158968667) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol
PubChem CID158968667
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol
SMILESC=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C13H28O2Si/c1-8-9-12(11(2)14)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyJNNKSTZIMYJSBZ-NWDGAFQWSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol?
The IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol (CID 158968667) is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol.
What is the SMILES notation for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol?
The canonical SMILES for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol is C=CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol?
The InChIKey is JNNKSTZIMYJSBZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-12(11(2)14)10-15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol?
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol is sourced from PubChem (CID 158968667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).