6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one

C12H14O3 — CID 54053914

IUPAC6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESO=c1occc2c1CC1CCCCC1O2
InChIInChI=1S/C12H14O3/c13-12-9-7-8-3-1-2-4-10(8)15-11(9)5-6-14-12/h5-6,8,10H,1-4,7H2
InChIKeyLUWQJYXXEPKELR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.13
Rot. Bonds

About 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one

6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one (PubChem CID 54053914) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one.

Molecular Properties

Compound Name6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one
PubChem CID54053914
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESO=c1occc2c1CC1CCCCC1O2
InChIInChI=1S/C12H14O3/c13-12-9-7-8-3-1-2-4-10(8)15-11(9)5-6-14-12/h5-6,8,10H,1-4,7H2
InChIKeyLUWQJYXXEPKELR-UHFFFAOYSA-N
XLogP2.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one?
The IUPAC name of 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one (CID 54053914) is 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one.
What is the SMILES notation for 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one?
The canonical SMILES for 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one is O=c1occc2c1CC1CCCCC1O2.
What is the InChIKey of 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one?
The InChIKey is LUWQJYXXEPKELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12-9-7-8-3-1-2-4-10(8)15-11(9)5-6-14-12/h5-6,8,10H,1-4,7H2.
What are the key properties of 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one?
6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,9a,10-hexahydro-5aH-pyrano[4,3-b]chromen-1-one is sourced from PubChem (CID 54053914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).