3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one

C14H20O2 — CID 613203

IUPAC3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one
SMILESCC(C)C12CCC3(C)CCC(=O)C=C3C1O2
InChIInChI=1S/C14H20O2/c1-9(2)14-7-6-13(3)5-4-10(15)8-11(13)12(14)16-14/h8-9,12H,4-7H2,1-3H3
InChIKeyLJRJNJCGLHJOET-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.87
Rot. Bonds1

About 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one

3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one (PubChem CID 613203) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one.

Molecular Properties

Compound Name3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one
PubChem CID613203
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one
SMILESCC(C)C12CCC3(C)CCC(=O)C=C3C1O2
InChIInChI=1S/C14H20O2/c1-9(2)14-7-6-13(3)5-4-10(15)8-11(13)12(14)16-14/h8-9,12H,4-7H2,1-3H3
InChIKeyLJRJNJCGLHJOET-UHFFFAOYSA-N
XLogP2.87
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.87
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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Related Compounds

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Dictyophorine A
CID 10036916
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CID 101923617
[(1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2-oxo-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-4-yl] (2R)-2-methylbutanoate
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CID 134990337
(1,1,7,7a-Tetramethyl-2-oxo-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-4-yl) 3-methylbutanoate
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(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one?
The IUPAC name of 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one (CID 613203) is 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one.
What is the SMILES notation for 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one?
The canonical SMILES for 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one is CC(C)C12CCC3(C)CCC(=O)C=C3C1O2.
What is the InChIKey of 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one?
The InChIKey is LJRJNJCGLHJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)14-7-6-13(3)5-4-10(15)8-11(13)12(14)16-14/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one?
3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one has a molecular weight of 220.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-1a-propan-2-yl-3,4,5,7b-tetrahydro-2H-naphtho[1,2-b]oxiren-6-one is sourced from PubChem (CID 613203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).