[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate

C7H10O4 — CID 59512802

IUPAC[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate
SMILESO=CO[C@H]1COC2OCCC21
InChIInChI=1S/C7H10O4/c8-4-11-6-3-10-7-5(6)1-2-9-7/h4-7H,1-3H2/t5?,6-,7?/m0/s1
InChIKeyLBDLMAOZBPYYKE-HUDPQJTASA-N
MW158.15 g/mol
LogP-0.08
Rot. Bonds2

About [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate

[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate (PubChem CID 59512802) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate.

Molecular Properties

Compound Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate
PubChem CID59512802
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate
SMILESO=CO[C@H]1COC2OCCC21
InChIInChI=1S/C7H10O4/c8-4-11-6-3-10-7-5(6)1-2-9-7/h4-7H,1-3H2/t5?,6-,7?/m0/s1
InChIKeyLBDLMAOZBPYYKE-HUDPQJTASA-N
XLogP-0.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate?
The IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate (CID 59512802) is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate.
What is the SMILES notation for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate?
The canonical SMILES for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate is O=CO[C@H]1COC2OCCC21.
What is the InChIKey of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate?
The InChIKey is LBDLMAOZBPYYKE-HUDPQJTASA-N. The full InChI is InChI=1S/C7H10O4/c8-4-11-6-3-10-7-5(6)1-2-9-7/h4-7H,1-3H2/t5?,6-,7?/m0/s1.
What are the key properties of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate?
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate has a molecular weight of 158.15 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] formate is sourced from PubChem (CID 59512802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).