(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one

C14H26O5Si — CID 10780718

IUPAC(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CC[C@H]1OC(=O)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-7-8-11-12(19-13(16)18-11)10(15)9-17-20(5,6)14(2,3)4/h7,10-12,15H,1,8-9H2,2-6H3/t10-,11-,12-/m1/s1
InChIKeyGIRFPARPAZKDKS-IJLUTSLNSA-N
MW302.44 g/mol
LogP2.85
Rot. Bonds6

About (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one

(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one (PubChem CID 10780718) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
PubChem CID10780718
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CC[C@H]1OC(=O)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O5Si/c1-7-8-11-12(19-13(16)18-11)10(15)9-17-20(5,6)14(2,3)4/h7,10-12,15H,1,8-9H2,2-6H3/t10-,11-,12-/m1/s1
InChIKeyGIRFPARPAZKDKS-IJLUTSLNSA-N
XLogP2.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
CID 67427940
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
2-[tert-butyl(dimethyl)silyl]oxy-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 72993760
(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 102156337
(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
CID 10670227
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
CID 11780673
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-prop-2-enyloxolan-3-one
CID 135023286

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one (CID 10780718) is (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one is C=CC[C@H]1OC(=O)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one?
The InChIKey is GIRFPARPAZKDKS-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-7-8-11-12(19-13(16)18-11)10(15)9-17-20(5,6)14(2,3)4/h7,10-12,15H,1,8-9H2,2-6H3/t10-,11-,12-/m1/s1.
What are the key properties of (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one?
(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one has a molecular weight of 302.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 10780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).