(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one

C18H26O2Si — CID 15834936

IUPAC(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C18H26O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,17H,5-7,11-12H2,1-4H3/t17-/m1/s1
InChIKeyKNGWPDSXNROFOR-QGZVFWFLSA-N
MW302.49 g/mol
LogP4.55
Rot. Bonds5

About (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one

(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one (PubChem CID 15834936) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one
PubChem CID15834936
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C2=CC=CC2=C(C)C12CC2
InChIInChI=1S/C18H26O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,17H,5-7,11-12H2,1-4H3/t17-/m1/s1
InChIKeyKNGWPDSXNROFOR-QGZVFWFLSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
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 (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one?
The IUPAC name of (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one (CID 15834936) is (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one.
What is the SMILES notation for (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one?
The canonical SMILES for (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one is CC[Si](CC)(CC)O[C@@H]1C(=O)C2=CC=CC2=C(C)C12CC2.
What is the InChIKey of (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one?
The InChIKey is KNGWPDSXNROFOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,17H,5-7,11-12H2,1-4H3/t17-/m1/s1.
What are the key properties of (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one?
(5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one has a molecular weight of 302.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-5-triethylsilyloxyspiro[5H-indene-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 15834936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).