(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene

C23H36 — CID 170590689

IUPAC(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene
SMILESC=C(C)CCC(CC(=C)/C(C(=C)C)=C(/CCC)C(=C)C)C(=C)C
InChIInChI=1S/C23H36/c1-11-12-22(18(6)7)23(19(8)9)20(10)15-21(17(4)5)14-13-16(2)3/h21H,2,4,6,8,10-15H2,1,3,5,7,9H3/b23-22-
InChIKeyNWYXBUDQAFEEIX-FCQUAONHSA-N
MW312.54 g/mol
LogP7.73
Rot. Bonds11

About (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene

(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene (PubChem CID 170590689) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene.

Molecular Properties

Compound Name(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene
PubChem CID170590689
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene
SMILESC=C(C)CCC(CC(=C)/C(C(=C)C)=C(/CCC)C(=C)C)C(=C)C
InChIInChI=1S/C23H36/c1-11-12-22(18(6)7)23(19(8)9)20(10)15-21(17(4)5)14-13-16(2)3/h21H,2,4,6,8,10-15H2,1,3,5,7,9H3/b23-22-
InChIKeyNWYXBUDQAFEEIX-FCQUAONHSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene 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 (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene?
The IUPAC name of (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene (CID 170590689) is (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene.
What is the SMILES notation for (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene?
The canonical SMILES for (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene is C=C(C)CCC(CC(=C)/C(C(=C)C)=C(/CCC)C(=C)C)C(=C)C.
What is the InChIKey of (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene?
The InChIKey is NWYXBUDQAFEEIX-FCQUAONHSA-N. The full InChI is InChI=1S/C23H36/c1-11-12-22(18(6)7)23(19(8)9)20(10)15-21(17(4)5)14-13-16(2)3/h21H,2,4,6,8,10-15H2,1,3,5,7,9H3/b23-22-.
What are the key properties of (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene?
(8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene has a molecular weight of 312.54 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2-methyl-7-methylidene-5,8,9-tris(prop-1-en-2-yl)dodeca-1,8-diene is sourced from PubChem (CID 170590689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).