(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene

C15H26O — CID 10751531

IUPAC(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene
SMILESCC/C(C)=C\OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-6-14(4)12-16-11-10-15(5)9-7-8-13(2)3/h8,10,12H,6-7,9,11H2,1-5H3/b14-12-,15-10+
InChIKeyYQJBJPDAXFWAIO-ZAJKJXJPSA-N
MW222.37 g/mol
LogP5.01
Rot. Bonds7

About (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene

(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene (PubChem CID 10751531) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene
PubChem CID10751531
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene
SMILESCC/C(C)=C\OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-6-14(4)12-16-11-10-15(5)9-7-8-13(2)3/h8,10,12H,6-7,9,11H2,1-5H3/b14-12-,15-10+
InChIKeyYQJBJPDAXFWAIO-ZAJKJXJPSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-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

(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
1,6-Octadiene, 8-methoxy-
CID 5362853
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
3,7,11-Trimethyl-1-(3,7,11-trimethyl-dodeca-2,6,10-trienyloxy)-dodeca-2,6,10-triene
CID 9979928
(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
(2E,6E,10E)-1-methoxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraene
CID 17915377
Npc133097
CID 5365842

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene (CID 10751531) is (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene is CC/C(C)=C\OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene?
The InChIKey is YQJBJPDAXFWAIO-ZAJKJXJPSA-N. The full InChI is InChI=1S/C15H26O/c1-6-14(4)12-16-11-10-15(5)9-7-8-13(2)3/h8,10,12H,6-7,9,11H2,1-5H3/b14-12-,15-10+.
What are the key properties of (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene?
(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene has a molecular weight of 222.37 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene is sourced from PubChem (CID 10751531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).