ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate

C15H18O4 — CID 116986435

IUPACethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
SMILESCCOC(=O)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H18O4/c1-2-17-15(16)13-11-6-4-7-18-12(11)9-10-5-3-8-19-14(10)13/h9H,2-8H2,1H3
InChIKeyNFHOJXAYOJCRCQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.51
Rot. Bonds2

About ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate

ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate (PubChem CID 116986435) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
PubChem CID116986435
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
SMILESCCOC(=O)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H18O4/c1-2-17-15(16)13-11-6-4-7-18-12(11)9-10-5-3-8-19-14(10)13/h9H,2-8H2,1H3
InChIKeyNFHOJXAYOJCRCQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
ethyl 6-methyl-2,3,7,8,9,10-hexahydro-1H-benzo[f]chromene-5-carboxylate
CID 101370006
ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
CID 66685727
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 113217766
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
CID 115010138
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
ethyl (10S,12R)-13-hydroxy-4,14-dioxa-13-boratetracyclo[7.5.0.03,7.010,12]tetradeca-1(9),2,7-triene-2-carboxylate
CID 174245315
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate?
The IUPAC name of ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate (CID 116986435) is ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate.
What is the SMILES notation for ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate?
The canonical SMILES for ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate is CCOC(=O)c1c2c(cc3c1OCCC3)OCCC2.
What is the InChIKey of ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate?
The InChIKey is NFHOJXAYOJCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-17-15(16)13-11-6-4-7-18-12(11)9-10-5-3-8-19-14(10)13/h9H,2-8H2,1H3.
What are the key properties of ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate?
ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate is sourced from PubChem (CID 116986435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).