methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate

C15H16O5 — CID 15867616

IUPACmethyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate
SMILESCOC(=O)Cc1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C15H16O5/c1-18-14(16)8-10-7-13-11(15(17)19-10)6-9-4-2-3-5-12(9)20-13/h6-7,12H,2-5,8H2,1H3
InChIKeyKWEIEDRTMGLFCP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.07
Rot. Bonds2

About methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate

methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate (PubChem CID 15867616) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate
PubChem CID15867616
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate
SMILESCOC(=O)Cc1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C15H16O5/c1-18-14(16)8-10-7-13-11(15(17)19-10)6-9-4-2-3-5-12(9)20-13/h6-7,12H,2-5,8H2,1H3
InChIKeyKWEIEDRTMGLFCP-UHFFFAOYSA-N
XLogP2.07
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate?
The IUPAC name of methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate (CID 15867616) is methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate?
The canonical SMILES for methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate is COC(=O)Cc1cc2c(c(=O)o1)C=C1CCCCC1O2.
What is the InChIKey of methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate?
The InChIKey is KWEIEDRTMGLFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-18-14(16)8-10-7-13-11(15(17)19-10)6-9-4-2-3-5-12(9)20-13/h6-7,12H,2-5,8H2,1H3.
What are the key properties of methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate?
methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate has a molecular weight of 276.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxo-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl)acetate is sourced from PubChem (CID 15867616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).