5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole

C12H20N4O4 — CID 18625467

IUPAC5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole
SMILESCOC1OC(c2nnn(C(C)C)n2)C2OC(C)(C)OC12
InChIInChI=1S/C12H20N4O4/c1-6(2)16-14-10(13-15-16)8-7-9(11(17-5)18-8)20-12(3,4)19-7/h6-9,11H,1-5H3
InChIKeyGQUGPLGEYZGPRE-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds3

About 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole

5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole (PubChem CID 18625467) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole
PubChem CID18625467
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole
SMILESCOC1OC(c2nnn(C(C)C)n2)C2OC(C)(C)OC12
InChIInChI=1S/C12H20N4O4/c1-6(2)16-14-10(13-15-16)8-7-9(11(17-5)18-8)20-12(3,4)19-7/h6-9,11H,1-5H3
InChIKeyGQUGPLGEYZGPRE-UHFFFAOYSA-N
XLogP0.82
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole?
The IUPAC name of 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole (CID 18625467) is 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole.
What is the SMILES notation for 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole?
The canonical SMILES for 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole is COC1OC(c2nnn(C(C)C)n2)C2OC(C)(C)OC12.
What is the InChIKey of 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole?
The InChIKey is GQUGPLGEYZGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-6(2)16-14-10(13-15-16)8-7-9(11(17-5)18-8)20-12(3,4)19-7/h6-9,11H,1-5H3.
What are the key properties of 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole?
5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole has a molecular weight of 284.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-propan-2-yltetrazole is sourced from PubChem (CID 18625467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).