2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine

C16H31NO — CID 117060388

IUPAC2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C16H31NO/c1-6-17(7-2)12-14-18-13-11-16(5)10-8-9-15(3)4/h9,11H,6-8,10,12-14H2,1-5H3/b16-11-
InChIKeyQXZFRGFWQXPGJM-WJDWOHSUSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds10

About 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine

2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine (PubChem CID 117060388) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine
PubChem CID117060388
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C16H31NO/c1-6-17(7-2)12-14-18-13-11-16(5)10-8-9-15(3)4/h9,11H,6-8,10,12-14H2,1-5H3/b16-11-
InChIKeyQXZFRGFWQXPGJM-WJDWOHSUSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine (CID 117060388) is 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine is CCN(CC)CCOC/C=C(/C)CCC=C(C)C.
What is the InChIKey of 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine?
The InChIKey is QXZFRGFWQXPGJM-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-17(7-2)12-14-18-13-11-16(5)10-8-9-15(3)4/h9,11H,6-8,10,12-14H2,1-5H3/b16-11-.
What are the key properties of 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine?
2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N,N-diethylethanamine is sourced from PubChem (CID 117060388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).