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

C11H24OSi — CID 134901157

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol
SMILESC=C[C@H]([C@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24OSi/c1-8-10(9(2)12)13(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10+/m0/s1
InChIKeyLTEKOZBBEVFFPV-VHSXEESVSA-N
MW200.40 g/mol
LogP3.43
Rot. Bonds3

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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol (PubChem CID 134901157) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol
PubChem CID134901157
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol
SMILESC=C[C@H]([C@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24OSi/c1-8-10(9(2)12)13(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10+/m0/s1
InChIKeyLTEKOZBBEVFFPV-VHSXEESVSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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]pent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol (CID 134901157) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol is C=C[C@H]([C@H](C)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol?
The InChIKey is LTEKOZBBEVFFPV-VHSXEESVSA-N. The full InChI is InChI=1S/C11H24OSi/c1-8-10(9(2)12)13(6,7)11(3,4)5/h8-10,12H,1H2,2-7H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol has a molecular weight of 200.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol is sourced from PubChem (CID 134901157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).