4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol

C7H12O4 — CID 102221162

IUPAC4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
SMILESOCC1CC2OCOCC2O1
InChIInChI=1S/C7H12O4/c8-2-5-1-6-7(11-5)3-9-4-10-6/h5-8H,1-4H2
InChIKeyALSZHSYGUCTIKN-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.49
Rot. Bonds1

About 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol

4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol (PubChem CID 102221162) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol.

Molecular Properties

Compound Name4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
PubChem CID102221162
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
SMILESOCC1CC2OCOCC2O1
InChIInChI=1S/C7H12O4/c8-2-5-1-6-7(11-5)3-9-4-10-6/h5-8H,1-4H2
InChIKeyALSZHSYGUCTIKN-UHFFFAOYSA-N
XLogP-0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol?
The IUPAC name of 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol (CID 102221162) is 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol.
What is the SMILES notation for 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol?
The canonical SMILES for 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol is OCC1CC2OCOCC2O1.
What is the InChIKey of 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol?
The InChIKey is ALSZHSYGUCTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-2-5-1-6-7(11-5)3-9-4-10-6/h5-8H,1-4H2.
What are the key properties of 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol?
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol has a molecular weight of 160.17 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol is sourced from PubChem (CID 102221162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).