9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one

C15H28O2Si — CID 10445764

IUPAC9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3
InChIKeyGLWBKBPYZOGUCA-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds2

About 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one

9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (PubChem CID 10445764) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
PubChem CID10445764
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O
InChIInChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3
InChIKeyGLWBKBPYZOGUCA-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
CID 10726571
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(1S,2'R,4R,5S)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[6-oxabicyclo[3.1.0]hexane-4,1'-cyclopentane]-2-one
CID 11437525

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one (CID 10445764) is 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is CC(C)(C)[Si](C)(C)OC1CCCC12CCCC2=O.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
The InChIKey is GLWBKBPYZOGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2,3)18(4,5)17-13-9-7-11-15(13)10-6-8-12(15)16/h13H,6-11H2,1-5H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one?
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one has a molecular weight of 268.47 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one is sourced from PubChem (CID 10445764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).