(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene

C22H34O — CID 139994314

IUPAC(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene
SMILESC=C(/C=C/COC/C=C/C(=C)CCC=C(C)C)CCC=C(C)C
InChIInChI=1S/C22H34O/c1-19(2)11-7-13-21(5)15-9-17-23-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3/b15-9+,16-10+
InChIKeyMJXVQWBZOFWDRM-KAVGSWPWSA-N
MW314.51 g/mol
LogP6.72
Rot. Bonds12

About (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene

(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene (PubChem CID 139994314) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene.

Molecular Properties

Compound Name(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene
PubChem CID139994314
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene
SMILESC=C(/C=C/COC/C=C/C(=C)CCC=C(C)C)CCC=C(C)C
InChIInChI=1S/C22H34O/c1-19(2)11-7-13-21(5)15-9-17-23-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3/b15-9+,16-10+
InChIKeyMJXVQWBZOFWDRM-KAVGSWPWSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Digeranyl ether
CID 6441535
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Farnesyl methyl ether
CID 5365855
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
2-Nonene, 1,1'-oxybis-
CID 6437569
3,7,11-Trimethyl-1-(3,7,11-trimethyl-dodeca-2,6,10-trienyloxy)-dodeca-2,6,10-triene
CID 9979928
(2E,6E,10E)-1-methoxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraene
CID 17915377
Npc133097
CID 5365842
(3E,5E,7R,10E)-7-ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
CID 163002078

Frequently Asked Questions

What is the IUPAC name of (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene?
The IUPAC name of (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene (CID 139994314) is (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene.
What is the SMILES notation for (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene?
The canonical SMILES for (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene is C=C(/C=C/COC/C=C/C(=C)CCC=C(C)C)CCC=C(C)C.
What is the InChIKey of (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene?
The InChIKey is MJXVQWBZOFWDRM-KAVGSWPWSA-N. The full InChI is InChI=1S/C22H34O/c1-19(2)11-7-13-21(5)15-9-17-23-18-10-16-22(6)14-8-12-20(3)4/h9-12,15-16H,5-8,13-14,17-18H2,1-4H3/b15-9+,16-10+.
What are the key properties of (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene?
(2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene has a molecular weight of 314.51 g/mol, XLogP of 6.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-8-methyl-4-methylidene-1-[(2E)-8-methyl-4-methylidenenona-2,7-dienoxy]nona-2,7-diene is sourced from PubChem (CID 139994314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).