(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate

C14H16O6 — CID 70383301

IUPAC(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(oc1=O)CC(C)(C)CC2=O
InChIInChI=1S/C14H16O6/c1-4-18-13(17)20-10-5-8-9(15)6-14(2,3)7-11(8)19-12(10)16/h5H,4,6-7H2,1-3H3
InChIKeyGMPQBBBAYLATJR-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.33
Rot. Bonds2

About (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate

(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate (PubChem CID 70383301) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate
PubChem CID70383301
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(oc1=O)CC(C)(C)CC2=O
InChIInChI=1S/C14H16O6/c1-4-18-13(17)20-10-5-8-9(15)6-14(2,3)7-11(8)19-12(10)16/h5H,4,6-7H2,1-3H3
InChIKeyGMPQBBBAYLATJR-UHFFFAOYSA-N
XLogP2.33
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate?
The IUPAC name of (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate (CID 70383301) is (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate.
What is the SMILES notation for (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate?
The canonical SMILES for (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate is CCOC(=O)Oc1cc2c(oc1=O)CC(C)(C)CC2=O.
What is the InChIKey of (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate?
The InChIKey is GMPQBBBAYLATJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-4-18-13(17)20-10-5-8-9(15)6-14(2,3)7-11(8)19-12(10)16/h5H,4,6-7H2,1-3H3.
What are the key properties of (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate?
(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate has a molecular weight of 280.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl) ethyl carbonate is sourced from PubChem (CID 70383301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).