(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one

C16H28O3Si — CID 102166718

IUPAC(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one
SMILESCC1=C(OCC(C)C)/C(=C/[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C16H28O3Si/c1-11(2)9-18-14-12(3)15(17)19-13(14)10-20(7,8)16(4,5)6/h10-11H,9H2,1-8H3/b13-10-
InChIKeyJPLVRPCPYWLNID-RAXLEYEMSA-N
MW296.48 g/mol
LogP4.42
Rot. Bonds4

About (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one

(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one (PubChem CID 102166718) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one
PubChem CID102166718
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one
SMILESCC1=C(OCC(C)C)/C(=C/[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C16H28O3Si/c1-11(2)9-18-14-12(3)15(17)19-13(14)10-20(7,8)16(4,5)6/h10-11H,9H2,1-8H3/b13-10-
InChIKeyJPLVRPCPYWLNID-RAXLEYEMSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-ethoxy-3-methyl-5-(triethylsilylmethylidene)furan-2-one
CID 102166720
5-methylene-4-(2-(trimethylsilyl)ethoxy)furan-2(5H)-one
CID 154731546
(5Z)-3,4-dimethyl-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
CID 166478872

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one?
The IUPAC name of (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one (CID 102166718) is (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one.
What is the SMILES notation for (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one?
The canonical SMILES for (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one is CC1=C(OCC(C)C)/C(=C/[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one?
The InChIKey is JPLVRPCPYWLNID-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-11(2)9-18-14-12(3)15(17)19-13(14)10-20(7,8)16(4,5)6/h10-11H,9H2,1-8H3/b13-10-.
What are the key properties of (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one?
(5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one has a molecular weight of 296.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[tert-butyl(dimethyl)silyl]methylidene]-3-methyl-4-(2-methylpropoxy)furan-2-one is sourced from PubChem (CID 102166718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).