2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol

C7H12O3 — CID 170910390

IUPAC2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
SMILESOCC1CC2COCC2O1
InChIInChI=1S/C7H12O3/c8-2-6-1-5-3-9-4-7(5)10-6/h5-8H,1-4H2
InChIKeyWTDVBZZHXIWTEX-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.22
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol

2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol (PubChem CID 170910390) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
PubChem CID170910390
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
SMILESOCC1CC2COCC2O1
InChIInChI=1S/C7H12O3/c8-2-6-1-5-3-9-4-7(5)10-6/h5-8H,1-4H2
InChIKeyWTDVBZZHXIWTEX-UHFFFAOYSA-N
XLogP-0.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol?
The IUPAC name of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol (CID 170910390) is 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol is OCC1CC2COCC2O1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol?
The InChIKey is WTDVBZZHXIWTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-2-6-1-5-3-9-4-7(5)10-6/h5-8H,1-4H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol?
2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol has a molecular weight of 144.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol is sourced from PubChem (CID 170910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).