4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one

C16H26O3Si — CID 10780174

IUPAC4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one
SMILESC=C1C(=O)C([Si](C)(C)C)=C2CC(C)(C)C(OCOC)C12
InChIInChI=1S/C16H26O3Si/c1-10-12-11(14(13(10)17)20(5,6)7)8-16(2,3)15(12)19-9-18-4/h12,15H,1,8-9H2,2-7H3
InChIKeyCJTXEWGTIJENOI-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.33
Rot. Bonds4

About 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one

4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one (PubChem CID 10780174) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one.

Molecular Properties

Compound Name4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one
PubChem CID10780174
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one
SMILESC=C1C(=O)C([Si](C)(C)C)=C2CC(C)(C)C(OCOC)C12
InChIInChI=1S/C16H26O3Si/c1-10-12-11(14(13(10)17)20(5,6)7)8-16(2,3)15(12)19-9-18-4/h12,15H,1,8-9H2,2-7H3
InChIKeyCJTXEWGTIJENOI-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1R,5R)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one
CID 24808689
(6S,6aR)-5,5-dimethyl-6-tri(propan-2-yl)silyloxy-1,4,6,6a-tetrahydropentalen-2-one
CID 11472747
(6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 14465186
(1S,7AS)-7A-Methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}-1,2,3,6,7,7A-hexahydro-5H-inden-5-one
CID 14585779
4-hydroxy-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one
CID 15828078
(1S,7aS)-4-isobutyl-7a-methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
CID 99771685
(1S,7AS)-4,7A-Dimethyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}-1,2,3,6,7,7A-hexahydro-5H-inden-5-one
CID 99772975
(6R,6aR)-5,5-dimethyl-6-tri(propan-2-yl)silyloxy-1,4,6,6a-tetrahydropentalen-2-one
CID 101073825
(6R,6aR)-6-(ethoxymethoxy)-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101073828
(6S,6aR)-6-(ethoxymethoxy)-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101073829
(1R,5S)-7-methylidene-5-(2-trimethylsilylethoxymethoxymethyl)bicyclo[3.2.1]oct-3-en-2-one
CID 102418668

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one?
The IUPAC name of 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one (CID 10780174) is 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one.
What is the SMILES notation for 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one?
The canonical SMILES for 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one is C=C1C(=O)C([Si](C)(C)C)=C2CC(C)(C)C(OCOC)C12.
What is the InChIKey of 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one?
The InChIKey is CJTXEWGTIJENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-10-12-11(14(13(10)17)20(5,6)7)8-16(2,3)15(12)19-9-18-4/h12,15H,1,8-9H2,2-7H3.
What are the key properties of 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one?
4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one has a molecular weight of 294.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-5,5-dimethyl-3-methylidene-1-trimethylsilyl-4,6-dihydro-3aH-pentalen-2-one is sourced from PubChem (CID 10780174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).