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

C19H32O2Si — CID 11034576

IUPAC(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one
SMILESC=C1C[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/h15H,1,7-13H2,2-6H3/t15-,18+/m1/s1
InChIKeyGOXAZRHMULBSJV-QAPCUYQASA-N
MW320.55 g/mol
LogP5.10
Rot. Bonds3

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

(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one (PubChem CID 11034576) 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-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one
PubChem CID11034576
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one
SMILESC=C1C[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/h15H,1,7-13H2,2-6H3/t15-,18+/m1/s1
InChIKeyGOXAZRHMULBSJV-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'}

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Related Compounds

2-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
CID 25053673
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
CID 102011598
(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
CID 71608620
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
tert-butyl-[[(1S,5R)-6,6-dimethyl-2-methylidene-1-bicyclo[3.1.0]hexanyl]methoxy]-dimethylsilane
CID 99771555
3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentyl]propan-1-ol
CID 85394039
methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918
methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
CID 11392848
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
CID 135066713
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one?
The IUPAC name of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one (CID 11034576) is (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one.
What is the SMILES notation for (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one?
The canonical SMILES for (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one is C=C1C[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-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one?
The InChIKey is GOXAZRHMULBSJV-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/h15H,1,7-13H2,2-6H3/t15-,18+/m1/s1.
What are the key properties of (3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one?
(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-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-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one is sourced from PubChem (CID 11034576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).