(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione

C26H48N2O2 — CID 118300534

IUPAC(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
SMILESC=CCC(C/C=C\CC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C26H48N2O2/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7/h13-15,19-22H,1,16-18H2,2-12H3/b15-14-
InChIKeyWDIMSONWMMSTDD-PFONDFGASA-N
MW420.68 g/mol
LogP5.53
Rot. Bonds14

About (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione

(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione (PubChem CID 118300534) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione.

Molecular Properties

Compound Name(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
PubChem CID118300534
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
SMILESC=CCC(C/C=C\CC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C26H48N2O2/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7/h13-15,19-22H,1,16-18H2,2-12H3/b15-14-
InChIKeyWDIMSONWMMSTDD-PFONDFGASA-N
XLogP5.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione?
The IUPAC name of (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione (CID 118300534) is (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione.
What is the SMILES notation for (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione?
The canonical SMILES for (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione is C=CCC(C/C=C\CC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione?
The InChIKey is WDIMSONWMMSTDD-PFONDFGASA-N. The full InChI is InChI=1S/C26H48N2O2/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7/h13-15,19-22H,1,16-18H2,2-12H3/b15-14-.
What are the key properties of (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione?
(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione has a molecular weight of 420.68 g/mol, XLogP of 5.53, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione is sourced from PubChem (CID 118300534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).