(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol

C11H24O2Si2 — CID 14185814

IUPAC(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C11H24O2Si2/c1-14(2,3)8-7-9(12)10-11(13-10)15(4,5)6/h7-12H,1-6H3/b8-7+/t9-,10-,11-/m1/s1
InChIKeyDXIPMMUCJOMNEY-QMVIJHPZSA-N
MW244.48 g/mol
LogP2.43
Rot. Bonds4

About (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol

(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 14185814) has the molecular formula C11H24O2Si2 and a molecular weight of 244.48 g/mol. Its IUPAC name is (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
PubChem CID14185814
Molecular FormulaC11H24O2Si2
Molecular Weight244.48 g/mol
Exact Mass244.13
IUPAC Name(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
SMILESC[Si](C)(C)/C=C/[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C11H24O2Si2/c1-14(2,3)8-7-9(12)10-11(13-10)15(4,5)6/h7-12H,1-6H3/b8-7+/t9-,10-,11-/m1/s1
InChIKeyDXIPMMUCJOMNEY-QMVIJHPZSA-N
XLogP2.43
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol (CID 14185814) is (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol is C[Si](C)(C)/C=C/[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C.
What is the InChIKey of (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is DXIPMMUCJOMNEY-QMVIJHPZSA-N. The full InChI is InChI=1S/C11H24O2Si2/c1-14(2,3)8-7-9(12)10-11(13-10)15(4,5)6/h7-12H,1-6H3/b8-7+/t9-,10-,11-/m1/s1.
What are the key properties of (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol?
(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 244.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 14185814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).