3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran

C7H10O2 — CID 91539474

IUPAC3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran
SMILESC1=C2COCC2CCO1
InChIInChI=1S/C7H10O2/c1-2-8-4-7-5-9-3-6(1)7/h4,6H,1-3,5H2
InChIKeyXPXQUTBZNYKGAY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.94
Rot. Bonds

About 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran

3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran (PubChem CID 91539474) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran.

Molecular Properties

Compound Name3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran
PubChem CID91539474
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran
SMILESC1=C2COCC2CCO1
InChIInChI=1S/C7H10O2/c1-2-8-4-7-5-9-3-6(1)7/h4,6H,1-3,5H2
InChIKeyXPXQUTBZNYKGAY-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126851922
2-iodo-4-(oxolan-3-yl)-1,3-oxazole
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4,4a,5,7-tetrahydrofuro[3,4-f][2]benzofuran
CID 141342863
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
5-(4-chlorophenyl)-3,4-dihydro-2H-pyran;3-(4-chlorophenyl)oxane
CID 160511846
3-(oxolan-3-yl)-1,2-oxazole
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CID 83827764

Frequently Asked Questions

What is the IUPAC name of 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran?
The IUPAC name of 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran (CID 91539474) is 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran.
What is the SMILES notation for 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran?
The canonical SMILES for 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran is C1=C2COCC2CCO1.
What is the InChIKey of 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran?
The InChIKey is XPXQUTBZNYKGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-8-4-7-5-9-3-6(1)7/h4,6H,1-3,5H2.
What are the key properties of 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran?
3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran has a molecular weight of 126.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,7a-tetrahydro-1H-furo[3,4-c]pyran is sourced from PubChem (CID 91539474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).