2-(butoxymethyl)azete

C8H13NO — CID 70353765

IUPAC2-(butoxymethyl)azete
SMILESCCCCOCC1=NC=C1
InChIInChI=1S/C8H13NO/c1-2-3-6-10-7-8-4-5-9-8/h4-5H,2-3,6-7H2,1H3
InChIKeyFVZUOKVLBVBPAX-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds5

About 2-(butoxymethyl)azete

2-(butoxymethyl)azete (PubChem CID 70353765) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(butoxymethyl)azete.

Molecular Properties

Compound Name2-(butoxymethyl)azete
PubChem CID70353765
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(butoxymethyl)azete
SMILESCCCCOCC1=NC=C1
InChIInChI=1S/C8H13NO/c1-2-3-6-10-7-8-4-5-9-8/h4-5H,2-3,6-7H2,1H3
InChIKeyFVZUOKVLBVBPAX-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)azete?
The IUPAC name of 2-(butoxymethyl)azete (CID 70353765) is 2-(butoxymethyl)azete.
What is the SMILES notation for 2-(butoxymethyl)azete?
The canonical SMILES for 2-(butoxymethyl)azete is CCCCOCC1=NC=C1.
What is the InChIKey of 2-(butoxymethyl)azete?
The InChIKey is FVZUOKVLBVBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-6-10-7-8-4-5-9-8/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 2-(butoxymethyl)azete?
2-(butoxymethyl)azete has a molecular weight of 139.20 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)azete is sourced from PubChem (CID 70353765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).