(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C26H41NO — CID 56676629

IUPAC(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H41NO/c1-20(14-15-23-22(3)13-10-16-26(23,7)8)11-9-12-21(2)19-24(28)27-18-17-25(4,5)6/h9,11-12,14-15,19H,10,13,16-18H2,1-8H3,(H,27,28)/b12-9+,15-14+,20-11+,21-19+
InChIKeyLSKBVEMVSSBRAT-COIZJCGZSA-N
MW383.62 g/mol
LogP7.07
Rot. Bonds7

About (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 56676629) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID56676629
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCC(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C26H41NO/c1-20(14-15-23-22(3)13-10-16-26(23,7)8)11-9-12-21(2)19-24(28)27-18-17-25(4,5)6/h9,11-12,14-15,19H,10,13,16-18H2,1-8H3,(H,27,28)/b12-9+,15-14+,20-11+,21-19+
InChIKeyLSKBVEMVSSBRAT-COIZJCGZSA-N
XLogP7.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 56676629) is (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCC(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is LSKBVEMVSSBRAT-COIZJCGZSA-N. The full InChI is InChI=1S/C26H41NO/c1-20(14-15-23-22(3)13-10-16-26(23,7)8)11-9-12-21(2)19-24(28)27-18-17-25(4,5)6/h9,11-12,14-15,19H,10,13,16-18H2,1-8H3,(H,27,28)/b12-9+,15-14+,20-11+,21-19+.
What are the key properties of (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 383.62 g/mol, XLogP of 7.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(3,3-dimethylbutyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 56676629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).