3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one

C12H14O3 — CID 66825275

IUPAC3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one
SMILESO=C1C2CC=CC=C2OC2CCOCC12
InChIInChI=1S/C12H14O3/c13-12-8-3-1-2-4-10(8)15-11-5-6-14-7-9(11)12/h1-2,4,8-9,11H,3,5-7H2
InChIKeyCKOGUNFTHQBHHR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.45
Rot. Bonds

About 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one

3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one (PubChem CID 66825275) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one.

Molecular Properties

Compound Name3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one
PubChem CID66825275
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one
SMILESO=C1C2CC=CC=C2OC2CCOCC12
InChIInChI=1S/C12H14O3/c13-12-8-3-1-2-4-10(8)15-11-5-6-14-7-9(11)12/h1-2,4,8-9,11H,3,5-7H2
InChIKeyCKOGUNFTHQBHHR-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one?
The IUPAC name of 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one (CID 66825275) is 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one.
What is the SMILES notation for 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one?
The canonical SMILES for 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one is O=C1C2CC=CC=C2OC2CCOCC12.
What is the InChIKey of 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one?
The InChIKey is CKOGUNFTHQBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12-8-3-1-2-4-10(8)15-11-5-6-14-7-9(11)12/h1-2,4,8-9,11H,3,5-7H2.
What are the key properties of 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one?
3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one has a molecular weight of 206.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,9,9a,10a-hexahydro-1H-pyrano[4,3-b]chromen-10-one is sourced from PubChem (CID 66825275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).