6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one

C13H18O5 — CID 10354947

IUPAC6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one
SMILESCCCCCc1oc([C@H](O)CO)c2c1C(=O)OC2
InChIInChI=1S/C13H18O5/c1-2-3-4-5-10-11-8(7-17-13(11)16)12(18-10)9(15)6-14/h9,14-15H,2-7H2,1H3/t9-/m1/s1
InChIKeyWBFLTSXAHCDLOK-SECBINFHSA-N
MW254.28 g/mol
LogP1.71
Rot. Bonds6

About 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one

6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one (PubChem CID 10354947) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one.

Molecular Properties

Compound Name6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one
PubChem CID10354947
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one
SMILESCCCCCc1oc([C@H](O)CO)c2c1C(=O)OC2
InChIInChI=1S/C13H18O5/c1-2-3-4-5-10-11-8(7-17-13(11)16)12(18-10)9(15)6-14/h9,14-15H,2-7H2,1H3/t9-/m1/s1
InChIKeyWBFLTSXAHCDLOK-SECBINFHSA-N
XLogP1.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one?
The IUPAC name of 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one (CID 10354947) is 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one.
What is the SMILES notation for 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one?
The canonical SMILES for 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one is CCCCCc1oc([C@H](O)CO)c2c1C(=O)OC2.
What is the InChIKey of 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one?
The InChIKey is WBFLTSXAHCDLOK-SECBINFHSA-N. The full InChI is InChI=1S/C13H18O5/c1-2-3-4-5-10-11-8(7-17-13(11)16)12(18-10)9(15)6-14/h9,14-15H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one?
6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one has a molecular weight of 254.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1,2-dihydroxyethyl]-4-pentyl-1H-furo[3,4-c]furan-3-one is sourced from PubChem (CID 10354947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).