(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione

C16H16O4 — CID 162418224

IUPAC(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
SMILESCC1(C)COC(=O)[C@@]12CC(c1ccccc1)=CC(=O)O2
InChIInChI=1S/C16H16O4/c1-15(2)10-19-14(18)16(15)9-12(8-13(17)20-16)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/t16-/m0/s1
InChIKeyNYBOIOGVHZGFCN-INIZCTEOSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds1

About (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione

(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione (PubChem CID 162418224) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione.

Molecular Properties

Compound Name(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
PubChem CID162418224
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
SMILESCC1(C)COC(=O)[C@@]12CC(c1ccccc1)=CC(=O)O2
InChIInChI=1S/C16H16O4/c1-15(2)10-19-14(18)16(15)9-12(8-13(17)20-16)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/t16-/m0/s1
InChIKeyNYBOIOGVHZGFCN-INIZCTEOSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione?
The IUPAC name of (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione (CID 162418224) is (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione.
What is the SMILES notation for (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione?
The canonical SMILES for (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione is CC1(C)COC(=O)[C@@]12CC(c1ccccc1)=CC(=O)O2.
What is the InChIKey of (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione?
The InChIKey is NYBOIOGVHZGFCN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O4/c1-15(2)10-19-14(18)16(15)9-12(8-13(17)20-16)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione?
(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione has a molecular weight of 272.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione is sourced from PubChem (CID 162418224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).