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

C11H18O — CID 100961260

IUPAC(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
SMILESC/C=C(C)/C=C(/C=C\OC)CC
InChIInChI=1S/C11H18O/c1-5-10(3)9-11(6-2)7-8-12-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5+,11-9+
InChIKeyYJXJLRBOGLNDGA-JGRQPKPISA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds4

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

(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene (PubChem CID 100961260) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
PubChem CID100961260
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
SMILESC/C=C(C)/C=C(/C=C\OC)CC
InChIInChI=1S/C11H18O/c1-5-10(3)9-11(6-2)7-8-12-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5+,11-9+
InChIKeyYJXJLRBOGLNDGA-JGRQPKPISA-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

(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
CID 10797426
(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one
CID 143328964
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
CID 101010584
(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
CID 143348268
(1E)-1-methoxy-3-methylbuta-1,3-diene
CID 10877062
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
CID 56936064
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
CID 139497248
3-ethyl-5-methylhepta-3,5-diene-2,2-diol
CID 123669742
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene?
The IUPAC name of (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene (CID 100961260) is (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene is C/C=C(C)/C=C(/C=C\OC)CC.
What is the InChIKey of (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene?
The InChIKey is YJXJLRBOGLNDGA-JGRQPKPISA-N. The full InChI is InChI=1S/C11H18O/c1-5-10(3)9-11(6-2)7-8-12-4/h5,7-9H,6H2,1-4H3/b8-7-,10-5+,11-9+.
What are the key properties of (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene?
(1Z,3E,5E)-3-ethyl-1-methoxy-5-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 (1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 100961260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).