(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol

C22H48O4Si2 — CID 161472770

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=CC[C@@H](O)CO[Si](C)(C)C(C)(C)C.C=CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C11H24O2Si/c2*1-7-8-10(12)9-13-14(5,6)11(2,3)4/h2*7,10,12H,1,8-9H2,2-6H3/t2*10-/m10/s1
InChIKeyWDHPWXSZJCUING-FTYBWHBYSA-N
MW432.79 g/mol
LogP5.89
Rot. Bonds10

About (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol (PubChem CID 161472770) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
PubChem CID161472770
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
SMILESC=CC[C@@H](O)CO[Si](C)(C)C(C)(C)C.C=CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/2C11H24O2Si/c2*1-7-8-10(12)9-13-14(5,6)11(2,3)4/h2*7,10,12H,1,8-9H2,2-6H3/t2*10-/m10/s1
InChIKeyWDHPWXSZJCUING-FTYBWHBYSA-N
XLogP5.89
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol (CID 161472770) is (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol is C=CC[C@@H](O)CO[Si](C)(C)C(C)(C)C.C=CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
The InChIKey is WDHPWXSZJCUING-FTYBWHBYSA-N. The full InChI is InChI=1S/2C11H24O2Si/c2*1-7-8-10(12)9-13-14(5,6)11(2,3)4/h2*7,10,12H,1,8-9H2,2-6H3/t2*10-/m10/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol has a molecular weight of 432.79 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol is sourced from PubChem (CID 161472770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).