4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one

C19H32O6 — CID 66669213

IUPAC4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one
SMILESCCCCCCC(O)CC1CC(O)CC2(CC3OC(=O)CCC3O2)O1
InChIInChI=1S/C19H32O6/c1-2-3-4-5-6-13(20)9-15-10-14(21)11-19(24-15)12-17-16(25-19)7-8-18(22)23-17/h13-17,20-21H,2-12H2,1H3
InChIKeyHYKRVMZLOGACQJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.44
Rot. Bonds7

About 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one

4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one (PubChem CID 66669213) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one.

Molecular Properties

Compound Name4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one
PubChem CID66669213
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one
SMILESCCCCCCC(O)CC1CC(O)CC2(CC3OC(=O)CCC3O2)O1
InChIInChI=1S/C19H32O6/c1-2-3-4-5-6-13(20)9-15-10-14(21)11-19(24-15)12-17-16(25-19)7-8-18(22)23-17/h13-17,20-21H,2-12H2,1H3
InChIKeyHYKRVMZLOGACQJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one?
The IUPAC name of 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one (CID 66669213) is 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one.
What is the SMILES notation for 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one?
The canonical SMILES for 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one is CCCCCCC(O)CC1CC(O)CC2(CC3OC(=O)CCC3O2)O1.
What is the InChIKey of 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one?
The InChIKey is HYKRVMZLOGACQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-2-3-4-5-6-13(20)9-15-10-14(21)11-19(24-15)12-17-16(25-19)7-8-18(22)23-17/h13-17,20-21H,2-12H2,1H3.
What are the key properties of 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one?
4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one has a molecular weight of 356.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-6'-(2-hydroxyoctyl)spiro[3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one is sourced from PubChem (CID 66669213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).