5-(methoxymethyl)-3,7-dimethylideneazocane

C11H19NO — CID 177009605

IUPAC5-(methoxymethyl)-3,7-dimethylideneazocane
SMILESC=C1CNCC(=C)CC(COC)C1
InChIInChI=1S/C11H19NO/c1-9-4-11(8-13-3)5-10(2)7-12-6-9/h11-12H,1-2,4-8H2,3H3
InChIKeyPIAMWLDQYCIHCE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.74
Rot. Bonds2

About 5-(methoxymethyl)-3,7-dimethylideneazocane

5-(methoxymethyl)-3,7-dimethylideneazocane (PubChem CID 177009605) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-3,7-dimethylideneazocane.

Molecular Properties

Compound Name5-(methoxymethyl)-3,7-dimethylideneazocane
PubChem CID177009605
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(methoxymethyl)-3,7-dimethylideneazocane
SMILESC=C1CNCC(=C)CC(COC)C1
InChIInChI=1S/C11H19NO/c1-9-4-11(8-13-3)5-10(2)7-12-6-9/h11-12H,1-2,4-8H2,3H3
InChIKeyPIAMWLDQYCIHCE-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3,7-dimethylideneazocane?
The IUPAC name of 5-(methoxymethyl)-3,7-dimethylideneazocane (CID 177009605) is 5-(methoxymethyl)-3,7-dimethylideneazocane.
What is the SMILES notation for 5-(methoxymethyl)-3,7-dimethylideneazocane?
The canonical SMILES for 5-(methoxymethyl)-3,7-dimethylideneazocane is C=C1CNCC(=C)CC(COC)C1.
What is the InChIKey of 5-(methoxymethyl)-3,7-dimethylideneazocane?
The InChIKey is PIAMWLDQYCIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-11(8-13-3)5-10(2)7-12-6-9/h11-12H,1-2,4-8H2,3H3.
What are the key properties of 5-(methoxymethyl)-3,7-dimethylideneazocane?
5-(methoxymethyl)-3,7-dimethylideneazocane has a molecular weight of 181.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3,7-dimethylideneazocane is sourced from PubChem (CID 177009605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).