ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide

C13H23NO2 — CID 143596569

IUPACethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide
SMILESC=C/C(=C\C=C/C)COCC(=O)NC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-4-6-7-10(5-2)8-14-9-11(13)12-3;1-2/h4-7H,2,8-9H2,1,3H3,(H,12,13);1-2H3/b6-4-,10-7+;
InChIKeyRZGPZTDAIVBMMC-IGPSGPCSSA-N
MW225.33 g/mol
LogP2.46
Rot. Bonds6

About ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide

ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide (PubChem CID 143596569) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide.

Molecular Properties

Compound Nameethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide
PubChem CID143596569
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide
SMILESC=C/C(=C\C=C/C)COCC(=O)NC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-4-6-7-10(5-2)8-14-9-11(13)12-3;1-2/h4-7H,2,8-9H2,1,3H3,(H,12,13);1-2H3/b6-4-,10-7+;
InChIKeyRZGPZTDAIVBMMC-IGPSGPCSSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide?
The IUPAC name of ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide (CID 143596569) is ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide.
What is the SMILES notation for ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide?
The canonical SMILES for ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide is C=C/C(=C\C=C/C)COCC(=O)NC.CC.
What is the InChIKey of ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide?
The InChIKey is RZGPZTDAIVBMMC-IGPSGPCSSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-4-6-7-10(5-2)8-14-9-11(13)12-3;1-2/h4-7H,2,8-9H2,1,3H3,(H,12,13);1-2H3/b6-4-,10-7+;.
What are the key properties of ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide?
ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylacetamide is sourced from PubChem (CID 143596569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).