(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione

C20H30O4 — CID 102153610

IUPAC(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=C(C(C)C)CCC(C)C12C(=O)C(C)=C(OC(C)(C)C)C2=O
InChIInChI=1S/C20H30O4/c1-11(2)14-10-9-12(3)20(18(14)23-8)16(21)13(4)15(17(20)22)24-19(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyLOWGNCPQJBPNTA-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.20
Rot. Bonds3

About (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione

(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione (PubChem CID 102153610) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione.

Molecular Properties

Compound Name(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
PubChem CID102153610
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione
SMILESCOC1=C(C(C)C)CCC(C)C12C(=O)C(C)=C(OC(C)(C)C)C2=O
InChIInChI=1S/C20H30O4/c1-11(2)14-10-9-12(3)20(18(14)23-8)16(21)13(4)15(17(20)22)24-19(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyLOWGNCPQJBPNTA-UHFFFAOYSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The IUPAC name of (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione (CID 102153610) is (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione.
What is the SMILES notation for (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The canonical SMILES for (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione is COC1=C(C(C)C)CCC(C)C12C(=O)C(C)=C(OC(C)(C)C)C2=O.
What is the InChIKey of (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
The InChIKey is LOWGNCPQJBPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-11(2)14-10-9-12(3)20(18(14)23-8)16(21)13(4)15(17(20)22)24-19(5,6)7/h11-12H,9-10H2,1-8H3.
What are the key properties of (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione?
(6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione has a molecular weight of 334.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-methoxy-2,6-dimethyl-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-ylspiro[4.5]deca-2,9-diene-1,4-dione is sourced from PubChem (CID 102153610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).