2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane

C10H17N3O2 — CID 165438045

IUPAC2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane
SMILESCC1(C)CC2(CCC(CN=[N+]=[N-])O2)CO1
InChIInChI=1S/C10H17N3O2/c1-9(2)6-10(7-14-9)4-3-8(15-10)5-12-13-11/h8H,3-7H2,1-2H3
InChIKeyWZXOBMNERODJFC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.41
Rot. Bonds2

About 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane

2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane (PubChem CID 165438045) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane
PubChem CID165438045
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane
SMILESCC1(C)CC2(CCC(CN=[N+]=[N-])O2)CO1
InChIInChI=1S/C10H17N3O2/c1-9(2)6-10(7-14-9)4-3-8(15-10)5-12-13-11/h8H,3-7H2,1-2H3
InChIKeyWZXOBMNERODJFC-UHFFFAOYSA-N
XLogP2.41
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.41
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

2-(azidomethyl)-1-oxaspiro[4.4]nonane
CID 102899110
2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
CID 165438047
(2S,5S,8S,9S)-2-(azidomethyl)-8,9-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 125450249
(2S,5R,9R)-2-(azidomethyl)-9-ethyl-1-oxaspiro[4.4]nonane
CID 125450213
(3R,5S)-3-(azidomethyl)-2,7-dioxaspiro[4.4]nonane
CID 125457120
(2S,4S)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457051
(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457049
(2R,4R)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457050
3-(azidomethyl)-2,2-dimethyloxirane
CID 45120427
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
CID 46868038
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
(5S)-5-(isothiocyanatomethyl)-2,2-dimethyloxolane
CID 134535251

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane?
The IUPAC name of 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane (CID 165438045) is 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane is CC1(C)CC2(CCC(CN=[N+]=[N-])O2)CO1.
What is the InChIKey of 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane?
The InChIKey is WZXOBMNERODJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9(2)6-10(7-14-9)4-3-8(15-10)5-12-13-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane?
2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane has a molecular weight of 211.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 165438045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).