(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one

C15H18O2 — CID 163104796

IUPAC(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one
SMILESCC1=CC2=C(C)C(=O)OC2=C[C@]12CCC[C@@H]2C
InChIInChI=1S/C15H18O2/c1-9-5-4-6-15(9)8-13-12(7-10(15)2)11(3)14(16)17-13/h7-9H,4-6H2,1-3H3/t9-,15-/m0/s1
InChIKeyKUNRAMULIXAXIK-VFZGTOFNSA-N
MW230.31 g/mol
LogP3.51
Rot. Bonds

About (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one

(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one (PubChem CID 163104796) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one
PubChem CID163104796
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one
SMILESCC1=CC2=C(C)C(=O)OC2=C[C@]12CCC[C@@H]2C
InChIInChI=1S/C15H18O2/c1-9-5-4-6-15(9)8-13-12(7-10(15)2)11(3)14(16)17-13/h7-9H,4-6H2,1-3H3/t9-,15-/m0/s1
InChIKeyKUNRAMULIXAXIK-VFZGTOFNSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one?
The IUPAC name of (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one (CID 163104796) is (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one.
What is the SMILES notation for (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one?
The canonical SMILES for (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one is CC1=CC2=C(C)C(=O)OC2=C[C@]12CCC[C@@H]2C.
What is the InChIKey of (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one?
The InChIKey is KUNRAMULIXAXIK-VFZGTOFNSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-5-4-6-15(9)8-13-12(7-10(15)2)11(3)14(16)17-13/h7-9H,4-6H2,1-3H3/t9-,15-/m0/s1.
What are the key properties of (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one?
(2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6R)-2',3,5-trimethylspiro[1-benzofuran-6,1'-cyclopentane]-2-one is sourced from PubChem (CID 163104796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).