4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole

C7H11N3O2 — CID 141258905

IUPAC4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(CCN=[N+]=[N-])O1
InChIInChI=1S/C7H11N3O2/c1-7(2)11-5-6(12-7)3-4-9-10-8/h5H,3-4H2,1-2H3
InChIKeyKZQAKERNLSOPHK-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole

4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole (PubChem CID 141258905) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole
PubChem CID141258905
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole
SMILESCC1(C)OC=C(CCN=[N+]=[N-])O1
InChIInChI=1S/C7H11N3O2/c1-7(2)11-5-6(12-7)3-4-9-10-8/h5H,3-4H2,1-2H3
InChIKeyKZQAKERNLSOPHK-UHFFFAOYSA-N
XLogP2.31
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-(3-azido-2-hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 19096634
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
CID 141089313
(2S)-1-(2,2-dimethyl-1,3-dioxol-4-yl)propane-2-sulfonic acid
CID 141258903
3-(2-azidoethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 165151786
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone
CID 141401252
3-(2-azidoethyl)furan-2,5-dione
CID 134248877
1-(2-azidoethyl)-4-hexylbenzene
CID 142738236
3-(azidomethyl)-2,2-dimethyloxirane
CID 45120427
4-[(2,5-dibromothiophen-3-yl)methoxymethyl]-2,2-dimethyl-1,3-dioxole
CID 141312611
2-(2-azidoethyl)-4-methylphenol
CID 151587113
5-(2-azidoethyl)-1-methylimidazole
CID 151132654

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole?
The IUPAC name of 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole (CID 141258905) is 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole.
What is the SMILES notation for 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole?
The canonical SMILES for 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole is CC1(C)OC=C(CCN=[N+]=[N-])O1.
What is the InChIKey of 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole?
The InChIKey is KZQAKERNLSOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(2)11-5-6(12-7)3-4-9-10-8/h5H,3-4H2,1-2H3.
What are the key properties of 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole?
4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole has a molecular weight of 169.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole is sourced from PubChem (CID 141258905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).