(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one

C15H20O2 — CID 91750195

IUPAC(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one
SMILESCC1=CC=C[C@]2(C)CC(=O)C3(CC12)OC3(C)C
InChIInChI=1S/C15H20O2/c1-10-6-5-7-14(4)9-12(16)15(8-11(10)14)13(2,3)17-15/h5-7,11H,8-9H2,1-4H3/t11?,14-,15?/m1/s1
InChIKeyLGXDZGLEPFLCIY-XGTXGMFGSA-N
MW232.32 g/mol
LogP3.04
Rot. Bonds

About (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one

(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one (PubChem CID 91750195) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one
PubChem CID91750195
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one
SMILESCC1=CC=C[C@]2(C)CC(=O)C3(CC12)OC3(C)C
InChIInChI=1S/C15H20O2/c1-10-6-5-7-14(4)9-12(16)15(8-11(10)14)13(2,3)17-15/h5-7,11H,8-9H2,1-4H3/t11?,14-,15?/m1/s1
InChIKeyLGXDZGLEPFLCIY-XGTXGMFGSA-N
XLogP3.04
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one?
The IUPAC name of (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one (CID 91750195) is (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one.
What is the SMILES notation for (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one?
The canonical SMILES for (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one is CC1=CC=C[C@]2(C)CC(=O)C3(CC12)OC3(C)C.
What is the InChIKey of (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one?
The InChIKey is LGXDZGLEPFLCIY-XGTXGMFGSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-6-5-7-14(4)9-12(16)15(8-11(10)14)13(2,3)17-15/h5-7,11H,8-9H2,1-4H3/t11?,14-,15?/m1/s1.
What are the key properties of (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one?
(8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one is sourced from PubChem (CID 91750195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).