[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane

C17H28OSi — CID 11097819

IUPAC[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12
InChIInChI=1S/C17H28OSi/c1-14-10-12-17(11-8-7-9-15(14)17)13-18-19(5,6)16(2,3)4/h7-9,11,15H,1,10,12-13H2,2-6H3/t15-,17+/m1/s1
InChIKeyUPSGFLXYFVPBTH-WBVHZDCISA-N
MW276.50 g/mol
LogP5.09
Rot. Bonds3

About [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11097819) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11097819
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12
InChIInChI=1S/C17H28OSi/c1-14-10-12-17(11-8-7-9-15(14)17)13-18-19(5,6)16(2,3)4/h7-9,11,15H,1,10,12-13H2,2-6H3/t15-,17+/m1/s1
InChIKeyUPSGFLXYFVPBTH-WBVHZDCISA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3aR,6S)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889222
(3aR,6S,7aR)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134979344
(3aR,6S,7aS)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134991924
(6E)-3-[(Trimethylsilyl)oxy]-9,10-secocholesta-5(10),6,8-triene
CID 5377359
2,3-dimethylbutan-2-yl-dimethyl-[(2S)-2-[(1R)-4-methylidenecyclohex-2-en-1-yl]propoxy]silane
CID 10935296
[3-(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
CID 18622635
[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
CID 18622636
4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane
CID 18622637
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane
CID 18622641
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-trimethylsilane;zirconium(2+);dichloride
CID 18622679
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
CID 18622688
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
CID 18622714

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane (CID 11097819) is [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC[C@]2(CO[Si](C)(C)C(C)(C)C)C=CC=C[C@H]12.
What is the InChIKey of [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is UPSGFLXYFVPBTH-WBVHZDCISA-N. The full InChI is InChI=1S/C17H28OSi/c1-14-10-12-17(11-8-7-9-15(14)17)13-18-19(5,6)16(2,3)4/h7-9,11,15H,1,10,12-13H2,2-6H3/t15-,17+/m1/s1.
What are the key properties of [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11097819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).