(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene

C11H18O — CID 129225625

IUPAC(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(CC)\C(=C/C)OC
InChIInChI=1S/C11H18O/c1-6-9(4)10(7-2)11(8-3)12-5/h6,8H,1,7H2,2-5H3/b10-9-,11-8+
InChIKeyWSOVFIFLOSNZNV-LMMFKTOUSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds4

About (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene

(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene (PubChem CID 129225625) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene
PubChem CID129225625
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(CC)\C(=C/C)OC
InChIInChI=1S/C11H18O/c1-6-9(4)10(7-2)11(8-3)12-5/h6,8H,1,7H2,2-5H3/b10-9-,11-8+
InChIKeyWSOVFIFLOSNZNV-LMMFKTOUSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Dimethoxycyclohexadiene
CID 14358150
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Methoxydimethyloctadiene
CID 87220842
2-methoxy-5H-indene
CID 136000266
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
Lithium 2-methoxy-3-methylbenzen-1-ide
CID 57533097
(3Z,5E)-7-fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 134365628
(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
CID 139457574
(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142297509
5-Fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene
CID 143106841
4-Fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene
CID 143108255

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene (CID 129225625) is (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene is C=C/C(C)=C(CC)\C(=C/C)OC.
What is the InChIKey of (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene?
The InChIKey is WSOVFIFLOSNZNV-LMMFKTOUSA-N. The full InChI is InChI=1S/C11H18O/c1-6-9(4)10(7-2)11(8-3)12-5/h6,8H,1,7H2,2-5H3/b10-9-,11-8+.
What are the key properties of (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene?
(3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-ethyl-5-methoxy-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 129225625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).