4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

C6H10O3 — CID 146474205

IUPAC4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC1CC2OCOC2CO1
InChIInChI=1S/C6H10O3/c1-2-7-3-6-5(1)8-4-9-6/h5-6H,1-4H2
InChIKeyFZWHRRMKNZLQGZ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.15
Rot. Bonds

About 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 146474205) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID146474205
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC1CC2OCOC2CO1
InChIInChI=1S/C6H10O3/c1-2-7-3-6-5(1)8-4-9-6/h5-6H,1-4H2
InChIKeyFZWHRRMKNZLQGZ-UHFFFAOYSA-N
XLogP0.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
3,8-dioxabicyclo[4.2.0]octane
CID 83669972
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
2,3,3a,4,5,7,8,8a-octahydrofuro[2,3-d]oxepine
CID 118209812
spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
CID 172725253
(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
CID 15321473
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane
CID 20522440
(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
CID 163821136

Frequently Asked Questions

What is the IUPAC name of 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 146474205) is 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is C1CC2OCOC2CO1.
What is the InChIKey of 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is FZWHRRMKNZLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-7-3-6-5(1)8-4-9-6/h5-6H,1-4H2.
What are the key properties of 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 130.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 146474205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).