(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol

C18H28O2Si — CID 10494751

IUPAC(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](O)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C18H28O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,16-17,19H,5-7,11-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyRTFVYESNWMLHQP-IAGOWNOFSA-N
MW304.51 g/mol
LogP4.34
Rot. Bonds5

About (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol

(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol (PubChem CID 10494751) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol
PubChem CID10494751
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](O)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C18H28O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,16-17,19H,5-7,11-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyRTFVYESNWMLHQP-IAGOWNOFSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol?
The IUPAC name of (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol (CID 10494751) is (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol.
What is the SMILES notation for (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol?
The canonical SMILES for (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol is CC[Si](CC)(CC)O[C@@H]1[C@H](O)C2=CC=CC2=C(C)C12CC2.
What is the InChIKey of (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol?
The InChIKey is RTFVYESNWMLHQP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,16-17,19H,5-7,11-12H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol?
(4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol has a molecular weight of 304.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-methyl-5-triethylsilyloxyspiro[4,5-dihydroindene-6,1'-cyclopropane]-4-ol is sourced from PubChem (CID 10494751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).