3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one

C20H34O4Si — CID 53468894

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C(CO[Si](C)(C)C(C)(C)C)=C1OCC1C=CCCC1
InChIInChI=1S/C20H34O4Si/c1-19(2,3)25(6,7)23-14-16-17(20(4,5)24-18(16)21)22-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3
InChIKeyBTFHKBQUWQJLKG-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.97
Rot. Bonds6

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one (PubChem CID 53468894) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one
PubChem CID53468894
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one
SMILESCC1(C)OC(=O)C(CO[Si](C)(C)C(C)(C)C)=C1OCC1C=CCCC1
InChIInChI=1S/C20H34O4Si/c1-19(2,3)25(6,7)23-14-16-17(20(4,5)24-18(16)21)22-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3
InChIKeyBTFHKBQUWQJLKG-UHFFFAOYSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one (CID 53468894) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one is CC1(C)OC(=O)C(CO[Si](C)(C)C(C)(C)C)=C1OCC1C=CCCC1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one?
The InChIKey is BTFHKBQUWQJLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-19(2,3)25(6,7)23-14-16-17(20(4,5)24-18(16)21)22-13-15-11-9-8-10-12-15/h9,11,15H,8,10,12-14H2,1-7H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one has a molecular weight of 366.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethylfuran-2-one is sourced from PubChem (CID 53468894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).