5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole

C10H16N4O3 — CID 59902834

IUPAC5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole
SMILESC[C@@H]1O[C@H](c2nnn(C)n2)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16N4O3/c1-5-6-7(17-10(2,3)16-6)8(15-5)9-11-13-14(4)12-9/h5-8H,1-4H3/t5-,6-,7-,8-/m0/s1
InChIKeyUZJSPTNVJPMFPO-XAMCCFCMSA-N
MW240.26 g/mol
LogP0.19
Rot. Bonds1

About 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole

5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole (PubChem CID 59902834) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole
PubChem CID59902834
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole
SMILESC[C@@H]1O[C@H](c2nnn(C)n2)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16N4O3/c1-5-6-7(17-10(2,3)16-6)8(15-5)9-11-13-14(4)12-9/h5-8H,1-4H3/t5-,6-,7-,8-/m0/s1
InChIKeyUZJSPTNVJPMFPO-XAMCCFCMSA-N
XLogP0.19
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole?
The IUPAC name of 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole (CID 59902834) is 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole?
The canonical SMILES for 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole is C[C@@H]1O[C@H](c2nnn(C)n2)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole?
The InChIKey is UZJSPTNVJPMFPO-XAMCCFCMSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5-6-7(17-10(2,3)16-6)8(15-5)9-11-13-14(4)12-9/h5-8H,1-4H3/t5-,6-,7-,8-/m0/s1.
What are the key properties of 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole?
5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole has a molecular weight of 240.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyltetrazole is sourced from PubChem (CID 59902834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).