3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one

C16H28O2Si — CID 135062140

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)C2=C1CCCC2
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-12-10-15(17)14-9-7-6-8-13(12)14/h12H,6-11H2,1-5H3
InChIKeyZUKCVSFYZAVEOA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.47
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one (PubChem CID 135062140) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
PubChem CID135062140
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)C2=C1CCCC2
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-12-10-15(17)14-9-7-6-8-13(12)14/h12H,6-11H2,1-5H3
InChIKeyZUKCVSFYZAVEOA-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
CID 130030063
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 134855082
4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 90458282
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 85377811
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one (CID 135062140) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one is CC(C)(C)[Si](C)(C)OCC1CC(=O)C2=C1CCCC2.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one?
The InChIKey is ZUKCVSFYZAVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-12-10-15(17)14-9-7-6-8-13(12)14/h12H,6-11H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one has a molecular weight of 280.48 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one is sourced from PubChem (CID 135062140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).