[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane

C19H30OSi — CID 71047224

IUPAC[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C19H30OSi/c1-6-21(7-2,8-3)20-18-14(4)16-10-9-11-17(16)15(5)19(18)12-13-19/h9-11,14,18H,6-8,12-13H2,1-5H3/t14-,18-/m1/s1
InChIKeyGEXDDUUNEZSOMV-RDTXWAMCSA-N
MW302.53 g/mol
LogP5.62
Rot. Bonds5

About [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane

[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane (PubChem CID 71047224) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane
PubChem CID71047224
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C19H30OSi/c1-6-21(7-2,8-3)20-18-14(4)16-10-9-11-17(16)15(5)19(18)12-13-19/h9-11,14,18H,6-8,12-13H2,1-5H3/t14-,18-/m1/s1
InChIKeyGEXDDUUNEZSOMV-RDTXWAMCSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane?
The IUPAC name of [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane (CID 71047224) is [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane?
The canonical SMILES for [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1[C@H](C)C2=CC=CC2=C(C)C12CC2.
What is the InChIKey of [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane?
The InChIKey is GEXDDUUNEZSOMV-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H30OSi/c1-6-21(7-2,8-3)20-18-14(4)16-10-9-11-17(16)15(5)19(18)12-13-19/h9-11,14,18H,6-8,12-13H2,1-5H3/t14-,18-/m1/s1.
What are the key properties of [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane?
[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane has a molecular weight of 302.53 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane is sourced from PubChem (CID 71047224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).