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

C19H30O2Si — CID 11120739

IUPAC(7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC=C2C(=O)C12CC2
InChIInChI=1S/C19H30O2Si/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/h8,12H,7,9-11,13H2,1-6H3/t18-/m0/s1
InChIKeyUVBWBMVZDNHMQS-SFHVURJKSA-N
MW318.53 g/mol
LogP5.02
Rot. Bonds3

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

(7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one (PubChem CID 11120739) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one
PubChem CID11120739
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one
SMILESCC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC=C2C(=O)C12CC2
InChIInChI=1S/C19H30O2Si/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/h8,12H,7,9-11,13H2,1-6H3/t18-/m0/s1
InChIKeyUVBWBMVZDNHMQS-SFHVURJKSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.02
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'}

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Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one?
The IUPAC name of (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one (CID 11120739) is (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one.
What is the SMILES notation for (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one?
The canonical SMILES for (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one is CC1=C[C@]2(CO[Si](C)(C)C(C)(C)C)CCC=C2C(=O)C12CC2.
What is the InChIKey of (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one?
The InChIKey is UVBWBMVZDNHMQS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30O2Si/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/h8,12H,7,9-11,13H2,1-6H3/t18-/m0/s1.
What are the key properties of (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one?
(7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one has a molecular weight of 318.53 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylspiro[1,2-dihydroindene-5,1'-cyclopropane]-4-one is sourced from PubChem (CID 11120739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).