6-azido-3,7-dimethyloctane-1,7-diol

C10H21N3O2 — CID 11031237

IUPAC6-azido-3,7-dimethyloctane-1,7-diol
SMILESCC(CCO)CCC(N=[N+]=[N-])C(C)(C)O
InChIInChI=1S/C10H21N3O2/c1-8(6-7-14)4-5-9(12-13-11)10(2,3)15/h8-9,14-15H,4-7H2,1-3H3
InChIKeyYJBRIDIYUGAOAR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.23
Rot. Bonds7

About 6-azido-3,7-dimethyloctane-1,7-diol

6-azido-3,7-dimethyloctane-1,7-diol (PubChem CID 11031237) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-azido-3,7-dimethyloctane-1,7-diol.

Molecular Properties

Compound Name6-azido-3,7-dimethyloctane-1,7-diol
PubChem CID11031237
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name6-azido-3,7-dimethyloctane-1,7-diol
SMILESCC(CCO)CCC(N=[N+]=[N-])C(C)(C)O
InChIInChI=1S/C10H21N3O2/c1-8(6-7-14)4-5-9(12-13-11)10(2,3)15/h8-9,14-15H,4-7H2,1-3H3
InChIKeyYJBRIDIYUGAOAR-UHFFFAOYSA-N
XLogP2.23
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-azido-3,7-dimethyloctane-1,7-diol?
The IUPAC name of 6-azido-3,7-dimethyloctane-1,7-diol (CID 11031237) is 6-azido-3,7-dimethyloctane-1,7-diol.
What is the SMILES notation for 6-azido-3,7-dimethyloctane-1,7-diol?
The canonical SMILES for 6-azido-3,7-dimethyloctane-1,7-diol is CC(CCO)CCC(N=[N+]=[N-])C(C)(C)O.
What is the InChIKey of 6-azido-3,7-dimethyloctane-1,7-diol?
The InChIKey is YJBRIDIYUGAOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(6-7-14)4-5-9(12-13-11)10(2,3)15/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of 6-azido-3,7-dimethyloctane-1,7-diol?
6-azido-3,7-dimethyloctane-1,7-diol has a molecular weight of 215.30 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-3,7-dimethyloctane-1,7-diol is sourced from PubChem (CID 11031237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).