methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate

C18H16O3 — CID 132571546

IUPACmethyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate
SMILESCOC(=O)c1cc2c3c(c1)-c1ccccc1CC3(C)CO2
InChIInChI=1S/C18H16O3/c1-18-9-11-5-3-4-6-13(11)14-7-12(17(19)20-2)8-15(16(14)18)21-10-18/h3-8H,9-10H2,1-2H3
InChIKeyBLXYWEPDCNAFDQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.35
Rot. Bonds1

About methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate

methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate (PubChem CID 132571546) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate
PubChem CID132571546
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Namemethyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate
SMILESCOC(=O)c1cc2c3c(c1)-c1ccccc1CC3(C)CO2
InChIInChI=1S/C18H16O3/c1-18-9-11-5-3-4-6-13(11)14-7-12(17(19)20-2)8-15(16(14)18)21-10-18/h3-8H,9-10H2,1-2H3
InChIKeyBLXYWEPDCNAFDQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate?
The IUPAC name of methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate (CID 132571546) is methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate.
What is the SMILES notation for methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate?
The canonical SMILES for methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate is COC(=O)c1cc2c3c(c1)-c1ccccc1CC3(C)CO2.
What is the InChIKey of methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate?
The InChIKey is BLXYWEPDCNAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-18-9-11-5-3-4-6-13(11)14-7-12(17(19)20-2)8-15(16(14)18)21-10-18/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate?
methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-11-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-14-carboxylate is sourced from PubChem (CID 132571546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).