5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole

C11H18N4O4 — CID 11184792

IUPAC5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole
SMILESCCn1nnc([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@@H]32)n1
InChIInChI=1S/C11H18N4O4/c1-5-15-13-9(12-14-15)7-6-8(10(16-4)17-7)19-11(2,3)18-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,10-/m1/s1
InChIKeyWRKNPVVPVSQYHT-IBCQBUCCSA-N
MW270.29 g/mol
LogP0.26
Rot. Bonds3

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

5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole (PubChem CID 11184792) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole.

Molecular Properties

Compound Name5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole
PubChem CID11184792
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole
SMILESCCn1nnc([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@@H]32)n1
InChIInChI=1S/C11H18N4O4/c1-5-15-13-9(12-14-15)7-6-8(10(16-4)17-7)19-11(2,3)18-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,10-/m1/s1
InChIKeyWRKNPVVPVSQYHT-IBCQBUCCSA-N
XLogP0.26
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole?
The IUPAC name of 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole (CID 11184792) is 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole.
What is the SMILES notation for 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole?
The canonical SMILES for 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole is CCn1nnc([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@@H]32)n1.
What is the InChIKey of 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole?
The InChIKey is WRKNPVVPVSQYHT-IBCQBUCCSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-5-15-13-9(12-14-15)7-6-8(10(16-4)17-7)19-11(2,3)18-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,10-/m1/s1.
What are the key properties of 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole?
5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole has a molecular weight of 270.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-ethyltetrazole is sourced from PubChem (CID 11184792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).