ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate

C15H18O4 — CID 10849058

IUPACethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
SMILESCCOC(=O)C1(C)Oc2cccc3c2C1(O)CCC3
InChIInChI=1S/C15H18O4/c1-3-18-13(16)14(2)15(17)9-5-7-10-6-4-8-11(19-14)12(10)15/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyROWLYBKYCLVKKJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.92
Rot. Bonds2

About ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate

ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate (PubChem CID 10849058) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
PubChem CID10849058
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
SMILESCCOC(=O)C1(C)Oc2cccc3c2C1(O)CCC3
InChIInChI=1S/C15H18O4/c1-3-18-13(16)14(2)15(17)9-5-7-10-6-4-8-11(19-14)12(10)15/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyROWLYBKYCLVKKJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate (CID 10849058) is ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate is CCOC(=O)C1(C)Oc2cccc3c2C1(O)CCC3.
What is the InChIKey of ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
The InChIKey is ROWLYBKYCLVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-18-13(16)14(2)15(17)9-5-7-10-6-4-8-11(19-14)12(10)15/h4,6,8,17H,3,5,7,9H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate?
ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate is sourced from PubChem (CID 10849058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).