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

C7H12O4 — CID 123499153

IUPAC7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESCOC12CCOCC1OCO2
InChIInChI=1S/C7H12O4/c1-8-7-2-3-9-4-6(7)10-5-11-7/h6H,2-5H2,1H3
InChIKeyZNBVEQZFIZSARJ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.12
Rot. Bonds1

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

7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran (PubChem CID 123499153) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran
PubChem CID123499153
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESCOC12CCOCC1OCO2
InChIInChI=1S/C7H12O4/c1-8-7-2-3-9-4-6(7)10-5-11-7/h6H,2-5H2,1H3
InChIKeyZNBVEQZFIZSARJ-UHFFFAOYSA-N
XLogP0.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran (CID 123499153) is 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran is COC12CCOCC1OCO2.
What is the InChIKey of 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is ZNBVEQZFIZSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-8-7-2-3-9-4-6(7)10-5-11-7/h6H,2-5H2,1H3.
What are the key properties of 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 160.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methoxy-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 123499153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).