7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol

C9H15N3O5 — CID 19103276

IUPAC7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol
SMILESCC1(C)OCC2(OC(CN=[N+]=[N-])C(O)C2O)O1
InChIInChI=1S/C9H15N3O5/c1-8(2)15-4-9(17-8)7(14)6(13)5(16-9)3-11-12-10/h5-7,13-14H,3-4H2,1-2H3
InChIKeySFLKASYCODSQOM-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.10
Rot. Bonds2

About 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol

7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol (PubChem CID 19103276) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol.

Molecular Properties

Compound Name7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol
PubChem CID19103276
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol
SMILESCC1(C)OCC2(OC(CN=[N+]=[N-])C(O)C2O)O1
InChIInChI=1S/C9H15N3O5/c1-8(2)15-4-9(17-8)7(14)6(13)5(16-9)3-11-12-10/h5-7,13-14H,3-4H2,1-2H3
InChIKeySFLKASYCODSQOM-UHFFFAOYSA-N
XLogP-0.10
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol?
The IUPAC name of 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol (CID 19103276) is 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol.
What is the SMILES notation for 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol?
The canonical SMILES for 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol is CC1(C)OCC2(OC(CN=[N+]=[N-])C(O)C2O)O1.
What is the InChIKey of 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol?
The InChIKey is SFLKASYCODSQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-8(2)15-4-9(17-8)7(14)6(13)5(16-9)3-11-12-10/h5-7,13-14H,3-4H2,1-2H3.
What are the key properties of 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol?
7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol has a molecular weight of 245.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azidomethyl)-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonane-8,9-diol is sourced from PubChem (CID 19103276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).