(E,2R)-4-trimethylsilylbut-3-en-2-ol

C7H16OSi — CID 12516693

IUPAC(E,2R)-4-trimethylsilylbut-3-en-2-ol
SMILESC[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-8H,1-4H3/b6-5+/t7-/m1/s1
InChIKeyDESHOKKWDVAXSP-WEWAHIQMSA-N
MW144.29 g/mol
LogP1.80
Rot. Bonds2

About (E,2R)-4-trimethylsilylbut-3-en-2-ol

(E,2R)-4-trimethylsilylbut-3-en-2-ol (PubChem CID 12516693) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is (E,2R)-4-trimethylsilylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-4-trimethylsilylbut-3-en-2-ol
PubChem CID12516693
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name(E,2R)-4-trimethylsilylbut-3-en-2-ol
SMILESC[C@@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-8H,1-4H3/b6-5+/t7-/m1/s1
InChIKeyDESHOKKWDVAXSP-WEWAHIQMSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-trimethylsilylbut-3-en-2-ol?
The IUPAC name of (E,2R)-4-trimethylsilylbut-3-en-2-ol (CID 12516693) is (E,2R)-4-trimethylsilylbut-3-en-2-ol.
What is the SMILES notation for (E,2R)-4-trimethylsilylbut-3-en-2-ol?
The canonical SMILES for (E,2R)-4-trimethylsilylbut-3-en-2-ol is C[C@@H](O)/C=C/[Si](C)(C)C.
What is the InChIKey of (E,2R)-4-trimethylsilylbut-3-en-2-ol?
The InChIKey is DESHOKKWDVAXSP-WEWAHIQMSA-N. The full InChI is InChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-8H,1-4H3/b6-5+/t7-/m1/s1.
What are the key properties of (E,2R)-4-trimethylsilylbut-3-en-2-ol?
(E,2R)-4-trimethylsilylbut-3-en-2-ol has a molecular weight of 144.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-trimethylsilylbut-3-en-2-ol is sourced from PubChem (CID 12516693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).