5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one

C19H34O5Si — CID 102327034

IUPAC5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one
SMILESCOC1(CC[C@@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(5,6)24-16-9-7-8-14-22-15(16)10-12-19(21-4)13-11-17(20)23-19/h11,13,15-16H,7-10,12,14H2,1-6H3/t15-,16-,19?/m0/s1
InChIKeyFHMXUSUCBQXTIE-NRAVZPKASA-N
MW370.56 g/mol
LogP4.18
Rot. Bonds6

About 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one

5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one (PubChem CID 102327034) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one
PubChem CID102327034
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one
SMILESCOC1(CC[C@@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(5,6)24-16-9-7-8-14-22-15(16)10-12-19(21-4)13-11-17(20)23-19/h11,13,15-16H,7-10,12,14H2,1-6H3/t15-,16-,19?/m0/s1
InChIKeyFHMXUSUCBQXTIE-NRAVZPKASA-N
XLogP4.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one?
The IUPAC name of 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one (CID 102327034) is 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one.
What is the SMILES notation for 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one?
The canonical SMILES for 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one is COC1(CC[C@@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)C=CC(=O)O1.
What is the InChIKey of 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one?
The InChIKey is FHMXUSUCBQXTIE-NRAVZPKASA-N. The full InChI is InChI=1S/C19H34O5Si/c1-18(2,3)25(5,6)24-16-9-7-8-14-22-15(16)10-12-19(21-4)13-11-17(20)23-19/h11,13,15-16H,7-10,12,14H2,1-6H3/t15-,16-,19?/m0/s1.
What are the key properties of 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one?
5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one has a molecular weight of 370.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxepan-2-yl]ethyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 102327034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).