1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone

C17H28O5Si — CID 134838118

IUPAC1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone
SMILESCC(=O)C1CC2(C)OC1C1(C)CC(C(C)=O)C2(O[Si](C)(C)C)O1
InChIInChI=1S/C17H28O5Si/c1-10(18)12-8-16(4)17(22-23(5,6)7)13(11(2)19)9-15(3,21-17)14(12)20-16/h12-14H,8-9H2,1-7H3
InChIKeyGPFJDKHSSZIZQI-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.68
Rot. Bonds4

About 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone

1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone (PubChem CID 134838118) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone
PubChem CID134838118
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone
SMILESCC(=O)C1CC2(C)OC1C1(C)CC(C(C)=O)C2(O[Si](C)(C)C)O1
InChIInChI=1S/C17H28O5Si/c1-10(18)12-8-16(4)17(22-23(5,6)7)13(11(2)19)9-15(3,21-17)14(12)20-16/h12-14H,8-9H2,1-7H3
InChIKeyGPFJDKHSSZIZQI-UHFFFAOYSA-N
XLogP2.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone with MolForge

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Related Compounds

(5S)-5-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(3S,5R,6R)-6-methoxy-6-(methoxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-5-triethylsilyloxyhexan-2-one
CID 134895334
(5S)-5-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-4,6-dimethoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-triethylsilyloxyhexan-2-one
CID 10984968
1-[(1R,2R,5S,6R)-7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl]ethanone
CID 101966109

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone?
The IUPAC name of 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone (CID 134838118) is 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone.
What is the SMILES notation for 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone?
The canonical SMILES for 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone is CC(=O)C1CC2(C)OC1C1(C)CC(C(C)=O)C2(O[Si](C)(C)C)O1.
What is the InChIKey of 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone?
The InChIKey is GPFJDKHSSZIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-10(18)12-8-16(4)17(22-23(5,6)7)13(11(2)19)9-15(3,21-17)14(12)20-16/h12-14H,8-9H2,1-7H3.
What are the key properties of 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone?
1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone has a molecular weight of 340.49 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-1,5-dimethyl-6-trimethylsilyloxy-9,10-dioxatricyclo[4.2.1.12,5]decan-3-yl)ethanone is sourced from PubChem (CID 134838118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).