methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate

C18H16O3 — CID 12902573

IUPACmethyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C18H16O3/c1-21-18(20)9-12-6-7-15-10-13-4-2-3-5-14(13)11-17(19)16(15)8-12/h2-8H,9-11H2,1H3
InChIKeyJDZLJAHJBIYVMV-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.73
Rot. Bonds2

About methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate

methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate (PubChem CID 12902573) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
PubChem CID12902573
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C18H16O3/c1-21-18(20)9-12-6-7-15-10-13-4-2-3-5-14(13)11-17(19)16(15)8-12/h2-8H,9-11H2,1H3
InChIKeyJDZLJAHJBIYVMV-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate with MolForge

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Related Compounds

2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid
CID 12740030
CID 172801156
CID 172801156
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467
(2-methoxy-2-oxoethyl) 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate
CID 131714551
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-phenylacetate;pyridine
CID 22282999
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811

Frequently Asked Questions

What is the IUPAC name of methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The IUPAC name of methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate (CID 12902573) is methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate.
What is the SMILES notation for methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The canonical SMILES for methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate is COC(=O)Cc1ccc2c(c1)C(=O)Cc1ccccc1C2.
What is the InChIKey of methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The InChIKey is JDZLJAHJBIYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-21-18(20)9-12-6-7-15-10-13-4-2-3-5-14(13)11-17(19)16(15)8-12/h2-8H,9-11H2,1H3.
What are the key properties of methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate has a molecular weight of 280.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate is sourced from PubChem (CID 12902573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).