ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine

C19H27NO — CID 145387084

IUPACethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine
SMILESCC.[H]/N=C/C=C\CC(/C=C\OC)=C\C(=C)C(=C)/C=C\C=C
InChIInChI=1S/C17H21NO.C2H6/c1-5-6-9-15(2)16(3)14-17(11-13-19-4)10-7-8-12-18;1-2/h5-9,11-14,18H,1-3,10H2,4H3;1-2H3/b8-7-,9-6-,13-11-,17-14-,18-12+;
InChIKeyUGHLSBOYMFQNCE-MYUZGXBTSA-N
MW285.43 g/mol
LogP5.55
Rot. Bonds9

About ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine

ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine (PubChem CID 145387084) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine.

Molecular Properties

Compound Nameethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine
PubChem CID145387084
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Nameethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine
SMILESCC.[H]/N=C/C=C\CC(/C=C\OC)=C\C(=C)C(=C)/C=C\C=C
InChIInChI=1S/C17H21NO.C2H6/c1-5-6-9-15(2)16(3)14-17(11-13-19-4)10-7-8-12-18;1-2/h5-9,11-14,18H,1-3,10H2,4H3;1-2H3/b8-7-,9-6-,13-11-,17-14-,18-12+;
InChIKeyUGHLSBOYMFQNCE-MYUZGXBTSA-N
XLogP5.55
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine?
The IUPAC name of ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine (CID 145387084) is ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine.
What is the SMILES notation for ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine?
The canonical SMILES for ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine is CC.[H]/N=C/C=C\CC(/C=C\OC)=C\C(=C)C(=C)/C=C\C=C.
What is the InChIKey of ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine?
The InChIKey is UGHLSBOYMFQNCE-MYUZGXBTSA-N. The full InChI is InChI=1S/C17H21NO.C2H6/c1-5-6-9-15(2)16(3)14-17(11-13-19-4)10-7-8-12-18;1-2/h5-9,11-14,18H,1-3,10H2,4H3;1-2H3/b8-7-,9-6-,13-11-,17-14-,18-12+;.
What are the key properties of ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine?
ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine has a molecular weight of 285.43 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,5Z,9Z)-5-[(Z)-2-methoxyethenyl]-7,8-dimethylidenedodeca-2,5,9,11-tetraen-1-imine is sourced from PubChem (CID 145387084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).