(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol

C15H22O2Si — CID 59899657

IUPAC(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol
SMILESC=CC[Si](C)(C)c1ccc(C[C@@H](O)[C@@H]2CO2)cc1
InChIInChI=1S/C15H22O2Si/c1-4-9-18(2,3)13-7-5-12(6-8-13)10-14(16)15-11-17-15/h4-8,14-16H,1,9-11H2,2-3H3/t14-,15+/m1/s1
InChIKeyUDOXBDRLKHXCRR-CABCVRRESA-N
MW262.43 g/mol
LogP2.09
Rot. Bonds6

About (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol

(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol (PubChem CID 59899657) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol
PubChem CID59899657
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol
SMILESC=CC[Si](C)(C)c1ccc(C[C@@H](O)[C@@H]2CO2)cc1
InChIInChI=1S/C15H22O2Si/c1-4-9-18(2,3)13-7-5-12(6-8-13)10-14(16)15-11-17-15/h4-8,14-16H,1,9-11H2,2-3H3/t14-,15+/m1/s1
InChIKeyUDOXBDRLKHXCRR-CABCVRRESA-N
XLogP2.09
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 52.09
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol?
The IUPAC name of (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol (CID 59899657) is (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol?
The canonical SMILES for (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol is C=CC[Si](C)(C)c1ccc(C[C@@H](O)[C@@H]2CO2)cc1.
What is the InChIKey of (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol?
The InChIKey is UDOXBDRLKHXCRR-CABCVRRESA-N. The full InChI is InChI=1S/C15H22O2Si/c1-4-9-18(2,3)13-7-5-12(6-8-13)10-14(16)15-11-17-15/h4-8,14-16H,1,9-11H2,2-3H3/t14-,15+/m1/s1.
What are the key properties of (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol?
(1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol has a molecular weight of 262.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-1-[(2S)-oxiran-2-yl]ethanol is sourced from PubChem (CID 59899657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).