(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one

C19H32O2Si — CID 10903308

IUPAC(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC[C@@H]2C(=O)C12CC2
InChIInChI=1S/C19H32O2Si/c1-14-12-18(13-21-22(5,6)17(2,3)4)9-7-8-15(18)16(20)19(14)10-11-19/h12,15H,7-11,13H2,1-6H3/t15-,18+/m1/s1
InChIKeyMMKIAJZAJZFVPC-QAPCUYQASA-N
MW320.55 g/mol
LogP5.10
Rot. Bonds3

About (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one

(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one (PubChem CID 10903308) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
PubChem CID10903308
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC[C@@H]2C(=O)C12CC2
InChIInChI=1S/C19H32O2Si/c1-14-12-18(13-21-22(5,6)17(2,3)4)9-7-8-15(18)16(20)19(14)10-11-19/h12,15H,7-11,13H2,1-6H3/t15-,18+/m1/s1
InChIKeyMMKIAJZAJZFVPC-QAPCUYQASA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one with MolForge

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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(3aS,7aS)-5,7-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,7a-tetrahydroinden-1-one
CID 12037933
1-[(3aR,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2,3,7,7a-tetrahydro-1H-inden-3a-yl]ethanone
CID 71518304
(2aR,4aS,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6,7b-trimethyl-1,2a,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
CID 71682389
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
11-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,4,4-trimethyltricyclo[5.2.2.02,6]undec-10-en-8-one
CID 78148806
(3aS,7R,7aR)-3a-methyl-3-methylidene-7-[tri(propan-2-yl)silyloxymethyl]-1,2,7,7a-tetrahydroinden-4-one
CID 101777851
(3S,6aS,6bS,9R,11aS,11bR)-3-[tert-butyl(dimethyl)silyl]oxy-10,11b-dimethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,3'-cyclopentane]-1'-one
CID 102336411
1-[(3aS,4R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-4,7a-dimethyl-2,3,4,7-tetrahydro-1H-inden-3a-yl]ethanone
CID 102511326
cis-(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-7-hydroxy-4-methylhept-3-enyl]-2-methylcyclopentan-1-one
CID 134864287
1-[(1S,4S,5R,6S)-4-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-2-yl]-1,3,6-trimethyl-6-bicyclo[3.1.0]hex-2-enyl]propan-1-one
CID 134879361
(3aS,6S,7aS)-3a-methyl-6-prop-1-en-2-yl-7a-[tri(propan-2-yl)silyloxymethyl]-3,5,6,7-tetrahydroinden-4-one
CID 134945476

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The IUPAC name of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one (CID 10903308) is (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one.
What is the SMILES notation for (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The canonical SMILES for (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one is CC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC[C@@H]2C(=O)C12CC2.
What is the InChIKey of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
The InChIKey is MMKIAJZAJZFVPC-QAPCUYQASA-N. The full InChI is InChI=1S/C19H32O2Si/c1-14-12-18(13-21-22(5,6)17(2,3)4)9-7-8-15(18)16(20)19(14)10-11-19/h12,15H,7-11,13H2,1-6H3/t15-,18+/m1/s1.
What are the key properties of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one?
(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one has a molecular weight of 320.55 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2,3,3a-tetrahydroindene-5,1'-cyclopropane]-4-one is sourced from PubChem (CID 10903308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).