2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide

C26H47NO — CID 143288493

IUPAC2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
SMILESC/C=C\C=C(/C=C\C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C26H47NO/c1-13-15-17-21(16-14-2)24(7,8)19-26(11,12)27-22(28)25(9,10)18-23(5,6)20(3)4/h13-17,20H,18-19H2,1-12H3,(H,27,28)/b15-13-,16-14-,21-17+
InChIKeyIVQQFKPOTXNLNP-UMLQNIGXSA-N
MW389.67 g/mol
LogP7.47
Rot. Bonds10

About 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide

2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide (PubChem CID 143288493) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide.

Molecular Properties

Compound Name2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
PubChem CID143288493
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
SMILESC/C=C\C=C(/C=C\C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C26H47NO/c1-13-15-17-21(16-14-2)24(7,8)19-26(11,12)27-22(28)25(9,10)18-23(5,6)20(3)4/h13-17,20H,18-19H2,1-12H3,(H,27,28)/b15-13-,16-14-,21-17+
InChIKeyIVQQFKPOTXNLNP-UMLQNIGXSA-N
XLogP7.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide?
The IUPAC name of 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide (CID 143288493) is 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide.
What is the SMILES notation for 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide?
The canonical SMILES for 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide is C/C=C\C=C(/C=C\C)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide?
The InChIKey is IVQQFKPOTXNLNP-UMLQNIGXSA-N. The full InChI is InChI=1S/C26H47NO/c1-13-15-17-21(16-14-2)24(7,8)19-26(11,12)27-22(28)25(9,10)18-23(5,6)20(3)4/h13-17,20H,18-19H2,1-12H3,(H,27,28)/b15-13-,16-14-,21-17+.
What are the key properties of 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide?
2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide has a molecular weight of 389.67 g/mol, XLogP of 7.47, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide is sourced from PubChem (CID 143288493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).