(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene

C29H52O2 — CID 6437124

IUPAC(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
SMILESCCCCCCCCC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H52O2/c1-8-9-10-11-12-13-20-29(30-23-21-27(6)18-14-16-25(2)3)31-24-22-28(7)19-15-17-26(4)5/h16-17,21-22,29H,8-15,18-20,23-24H2,1-7H3/b27-21+,28-22+
InChIKeyFOZNRVHWZWWCPV-GPAWKIAZSA-N
MW432.73 g/mol
LogP9.48
Rot. Bonds19

About (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene

(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene (PubChem CID 6437124) has the molecular formula C29H52O2 and a molecular weight of 432.73 g/mol. Its IUPAC name is (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
PubChem CID6437124
Molecular FormulaC29H52O2
Molecular Weight432.73 g/mol
Exact Mass432.40
IUPAC Name(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
SMILESCCCCCCCCC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H52O2/c1-8-9-10-11-12-13-20-29(30-23-21-27(6)18-14-16-25(2)3)31-24-22-28(7)19-15-17-26(4)5/h16-17,21-22,29H,8-15,18-20,23-24H2,1-7H3/b27-21+,28-22+
InChIKeyFOZNRVHWZWWCPV-GPAWKIAZSA-N
XLogP9.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-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

1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
CID 15717608
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
CID 56935986
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
CID 21082896
[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
CID 12571389
2-[6-[dimethyl-[(9Z,12Z)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadeca-9,12-dienoxy]-λ4-sulfanyl]oxyhexyl-(2-hydroxyethyl)amino]ethanol
CID 176937235
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
CID 91697248
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene (CID 6437124) is (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene is CCCCCCCCC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene?
The InChIKey is FOZNRVHWZWWCPV-GPAWKIAZSA-N. The full InChI is InChI=1S/C29H52O2/c1-8-9-10-11-12-13-20-29(30-23-21-27(6)18-14-16-25(2)3)31-24-22-28(7)19-15-17-26(4)5/h16-17,21-22,29H,8-15,18-20,23-24H2,1-7H3/b27-21+,28-22+.
What are the key properties of (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene?
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene has a molecular weight of 432.73 g/mol, XLogP of 9.48, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 6437124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).