3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one

C14H22O4Si — CID 23259755

IUPAC3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one
SMILESCOC1C=C(O[Si](C)(C)C)CCC1C1=CC(=O)OC1
InChIInChI=1S/C14H22O4Si/c1-16-13-8-11(18-19(2,3)4)5-6-12(13)10-7-14(15)17-9-10/h7-8,12-13H,5-6,9H2,1-4H3
InChIKeySXERWLKNOYGORE-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one

3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one (PubChem CID 23259755) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one
PubChem CID23259755
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one
SMILESCOC1C=C(O[Si](C)(C)C)CCC1C1=CC(=O)OC1
InChIInChI=1S/C14H22O4Si/c1-16-13-8-11(18-19(2,3)4)5-6-12(13)10-7-14(15)17-9-10/h7-8,12-13H,5-6,9H2,1-4H3
InChIKeySXERWLKNOYGORE-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one with MolForge

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Related Compounds

(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 134845125
ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate
CID 11175287
3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
CID 15765572
3-(2-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one
CID 21669254
(5S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
CID 71477219
(4aR,6R,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-4-[tri(propan-2-yl)silyloxymethyl]-4a,5,6,8a-tetrahydrochromen-2-one
CID 71492312
ethyl (E)-3-[(2S,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate
CID 101734927
methyl (2E)-2-(6-acetyl-5-methoxy-3-trimethylsilyloxycyclohex-3-en-1-ylidene)acetate
CID 101912828

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one?
The IUPAC name of 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one (CID 23259755) is 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one?
The canonical SMILES for 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one is COC1C=C(O[Si](C)(C)C)CCC1C1=CC(=O)OC1.
What is the InChIKey of 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one?
The InChIKey is SXERWLKNOYGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-16-13-8-11(18-19(2,3)4)5-6-12(13)10-7-14(15)17-9-10/h7-8,12-13H,5-6,9H2,1-4H3.
What are the key properties of 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one?
3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one has a molecular weight of 282.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl)-2H-furan-5-one is sourced from PubChem (CID 23259755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).