methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate

C16H16O4 — CID 102098677

IUPACmethyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
SMILESCOC(=O)c1cc2ccccc2c2c1OCCCCO2
InChIInChI=1S/C16H16O4/c1-18-16(17)13-10-11-6-2-3-7-12(11)14-15(13)20-9-5-4-8-19-14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyFWECATWWAHCZHA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.18
Rot. Bonds1

About methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate

methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate (PubChem CID 102098677) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate.

Molecular Properties

Compound Namemethyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
PubChem CID102098677
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
SMILESCOC(=O)c1cc2ccccc2c2c1OCCCCO2
InChIInChI=1S/C16H16O4/c1-18-16(17)13-10-11-6-2-3-7-12(11)14-15(13)20-9-5-4-8-19-14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyFWECATWWAHCZHA-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate with MolForge

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Related Compounds

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 7-chlorophenanthrene-9-carboxylate
CID 10730795
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 6-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9,11-hexaene-2-carboxylate
CID 67852024
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771

Frequently Asked Questions

What is the IUPAC name of methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The IUPAC name of methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate (CID 102098677) is methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate.
What is the SMILES notation for methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The canonical SMILES for methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate is COC(=O)c1cc2ccccc2c2c1OCCCCO2.
What is the InChIKey of methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
The InChIKey is FWECATWWAHCZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-16(17)13-10-11-6-2-3-7-12(11)14-15(13)20-9-5-4-8-19-14/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate?
methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate is sourced from PubChem (CID 102098677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).