methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate

C15H18O5 — CID 10265549

IUPACmethyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1C1(O)C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C15H18O5/c1-9-7-10(16)8-14(2,3)15(9,18)12-11(5-6-20-12)13(17)19-4/h5-7,18H,8H2,1-4H3
InChIKeyYFUQKPRFRYPKBJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate

methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate (PubChem CID 10265549) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate
PubChem CID10265549
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1C1(O)C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C15H18O5/c1-9-7-10(16)8-14(2,3)15(9,18)12-11(5-6-20-12)13(17)19-4/h5-7,18H,8H2,1-4H3
InChIKeyYFUQKPRFRYPKBJ-UHFFFAOYSA-N
XLogP2.20
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate?
The IUPAC name of methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate (CID 10265549) is methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate is COC(=O)c1ccoc1C1(O)C(C)=CC(=O)CC1(C)C.
What is the InChIKey of methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate?
The InChIKey is YFUQKPRFRYPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-9-7-10(16)8-14(2,3)15(9,18)12-11(5-6-20-12)13(17)19-4/h5-7,18H,8H2,1-4H3.
What are the key properties of methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate?
methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)furan-3-carboxylate is sourced from PubChem (CID 10265549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).