3-azido-5-hexyldioxolane

C9H17N3O2 — CID 155146191

IUPAC3-azido-5-hexyldioxolane
SMILESCCCCCCC1CC(N=[N+]=[N-])OO1
InChIInChI=1S/C9H17N3O2/c1-2-3-4-5-6-8-7-9(11-12-10)14-13-8/h8-9H,2-7H2,1H3
InChIKeyYDEPDAHMJTUUMK-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.31
Rot. Bonds6

About 3-azido-5-hexyldioxolane

3-azido-5-hexyldioxolane (PubChem CID 155146191) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-azido-5-hexyldioxolane.

Molecular Properties

Compound Name3-azido-5-hexyldioxolane
PubChem CID155146191
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-azido-5-hexyldioxolane
SMILESCCCCCCC1CC(N=[N+]=[N-])OO1
InChIInChI=1S/C9H17N3O2/c1-2-3-4-5-6-8-7-9(11-12-10)14-13-8/h8-9H,2-7H2,1H3
InChIKeyYDEPDAHMJTUUMK-UHFFFAOYSA-N
XLogP3.31
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
(4S,5S)-4-azido-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 50899967
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
1-azido-2-nonylcyclononane
CID 141136594
2-heptyl-4-methyloxetane
CID 174470649
2-(5-hexyldioxolan-3-yl)-2-methylpropanoic acid
CID 155146189

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-hexyldioxolane?
The IUPAC name of 3-azido-5-hexyldioxolane (CID 155146191) is 3-azido-5-hexyldioxolane.
What is the SMILES notation for 3-azido-5-hexyldioxolane?
The canonical SMILES for 3-azido-5-hexyldioxolane is CCCCCCC1CC(N=[N+]=[N-])OO1.
What is the InChIKey of 3-azido-5-hexyldioxolane?
The InChIKey is YDEPDAHMJTUUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-4-5-6-8-7-9(11-12-10)14-13-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-azido-5-hexyldioxolane?
3-azido-5-hexyldioxolane has a molecular weight of 199.25 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-hexyldioxolane is sourced from PubChem (CID 155146191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).