(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one

C19H28O2Si — CID 11666836

IUPAC(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=O
InChIInChI=1S/C19H28O2Si/c1-17(2,3)22(5,6)21-13-19-11-14-9-7-8-10-15(14)18(19,4)12-16(19)20/h7-10H,11-13H2,1-6H3/t18-,19+/m1/s1
InChIKeyKPVQPQYKJWQWGW-MOPGFXCFSA-N
MW316.52 g/mol
LogP4.48
Rot. Bonds3

About (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one

(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one (PubChem CID 11666836) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one.

Molecular Properties

Compound Name(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
PubChem CID11666836
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Name(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=O
InChIInChI=1S/C19H28O2Si/c1-17(2,3)22(5,6)21-13-19-11-14-9-7-8-10-15(14)18(19,4)12-16(19)20/h7-10H,11-13H2,1-6H3/t18-,19+/m1/s1
InChIKeyKPVQPQYKJWQWGW-MOPGFXCFSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-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

[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methoxy-dimethyl-prop-2-enylsilane
CID 25192792
[(2aR,7aS)-2a-methyl-1-methylidene-2,7-dihydrocyclobuta[a]inden-7a-yl]methanol
CID 11680020
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
CID 123748311
(3aS,7aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7a-dimethyl-2,3,4,5-tetrahydroinden-1-one
CID 11130650
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 14136544
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
CID 153401170
2-[1-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3H-indol-2-yl]acetonitrile
CID 102140635
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
[(1R,2aR,7aS)-1-hydroxy-2a-methyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]methyl 2,2-dimethylpropanoate
CID 11514775
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246

Frequently Asked Questions

What is the IUPAC name of (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one?
The IUPAC name of (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one (CID 11666836) is (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one.
What is the SMILES notation for (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one?
The canonical SMILES for (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one is CC(C)(C)[Si](C)(C)OC[C@]12Cc3ccccc3[C@@]1(C)CC2=O.
What is the InChIKey of (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one?
The InChIKey is KPVQPQYKJWQWGW-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-17(2,3)22(5,6)21-13-19-11-14-9-7-8-10-15(14)18(19,4)12-16(19)20/h7-10H,11-13H2,1-6H3/t18-,19+/m1/s1.
What are the key properties of (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one?
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one has a molecular weight of 316.52 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one is sourced from PubChem (CID 11666836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).