(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C16H16O2 — CID 23651347

IUPAC(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1=C[C@H]2C(=O)[C@@H]3OC[C@@H]([C@H]13)[C@H]2c1ccccc1
InChIInChI=1S/C16H16O2/c1-9-7-11-14(10-5-3-2-4-6-10)12-8-18-16(13(9)12)15(11)17/h2-7,11-14,16H,8H2,1H3/t11-,12+,13+,14+,16-/m1/s1
InChIKeyREXUYPHTPCXGOM-XSEXMBABSA-N
MW240.30 g/mol
LogP2.56
Rot. Bonds1

About (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 23651347) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID23651347
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1=C[C@H]2C(=O)[C@@H]3OC[C@@H]([C@H]13)[C@H]2c1ccccc1
InChIInChI=1S/C16H16O2/c1-9-7-11-14(10-5-3-2-4-6-10)12-8-18-16(13(9)12)15(11)17/h2-7,11-14,16H,8H2,1H3/t11-,12+,13+,14+,16-/m1/s1
InChIKeyREXUYPHTPCXGOM-XSEXMBABSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 23651347) is (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CC1=C[C@H]2C(=O)[C@@H]3OC[C@@H]([C@H]13)[C@H]2c1ccccc1.
What is the InChIKey of (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is REXUYPHTPCXGOM-XSEXMBABSA-N. The full InChI is InChI=1S/C16H16O2/c1-9-7-11-14(10-5-3-2-4-6-10)12-8-18-16(13(9)12)15(11)17/h2-7,11-14,16H,8H2,1H3/t11-,12+,13+,14+,16-/m1/s1.
What are the key properties of (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
(1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 240.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R,10R)-8-methyl-10-phenyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 23651347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).