spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione

C12H16O4 — CID 153401874

IUPACspiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione
SMILESO=C1CCC2(CCC3CCCC(=O)C3O2)O1
InChIInChI=1S/C12H16O4/c13-9-3-1-2-8-4-6-12(16-11(8)9)7-5-10(14)15-12/h8,11H,1-7H2
InChIKeyVOUIHMDPYZXGIM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds

About spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione

spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione (PubChem CID 153401874) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione.

Molecular Properties

Compound Namespiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione
PubChem CID153401874
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namespiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione
SMILESO=C1CCC2(CCC3CCCC(=O)C3O2)O1
InChIInChI=1S/C12H16O4/c13-9-3-1-2-8-4-6-12(16-11(8)9)7-5-10(14)15-12/h8,11H,1-7H2
InChIKeyVOUIHMDPYZXGIM-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione with MolForge

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Related Compounds

(4a'S,6a'r,10a'r,10b'r)-octahydro-1'h-spiro[[1,3]dioxolane-2,2'-pyrano[2,3-c]chromen]-5'(3'h)-one
CID 138756967
(4'aS,12'aS)-spiro[1,3-dioxolane-2,3'-4,4a,6,7,8,9,12,12a-octahydropyrano[2,3-c]oxecine]-2',5',10'-trione
CID 164889034
(2S,3aS,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-3-one
CID 11769755
methyl (2S,3aS,7aR)-5'-methyl-3,4'-dioxospiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate
CID 10518019
methyl (2S,3aS,5'R,6S,7aR)-5'-methyl-3,4'-dioxospiro[3a,4,5,6,7,7a-hexahydro-1-benzofuran-2,2'-oxane]-6-carboxylate
CID 10565853

Frequently Asked Questions

What is the IUPAC name of spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione?
The IUPAC name of spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione (CID 153401874) is spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione.
What is the SMILES notation for spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione?
The canonical SMILES for spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione is O=C1CCC2(CCC3CCCC(=O)C3O2)O1.
What is the InChIKey of spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione?
The InChIKey is VOUIHMDPYZXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-9-3-1-2-8-4-6-12(16-11(8)9)7-5-10(14)15-12/h8,11H,1-7H2.
What are the key properties of spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione?
spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione has a molecular weight of 224.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,4a,5,6,7,8a-hexahydro-3H-chromene-2,5'-oxolane]-2',8-dione is sourced from PubChem (CID 153401874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).