(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene

C11H18O2 — CID 89009982

IUPAC(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene
SMILESC/C=C(\C=C/C(=C/OC)OC)CC
InChIInChI=1S/C11H18O2/c1-5-10(6-2)7-8-11(13-4)9-12-3/h5,7-9H,6H2,1-4H3/b8-7-,10-5-,11-9-
InChIKeyZFLVFFXAQJTQJD-OJIDYULOSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds5

About (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene

(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene (PubChem CID 89009982) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene
PubChem CID89009982
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene
SMILESC/C=C(\C=C/C(=C/OC)OC)CC
InChIInChI=1S/C11H18O2/c1-5-10(6-2)7-8-11(13-4)9-12-3/h5,7-9H,6H2,1-4H3/b8-7-,10-5-,11-9-
InChIKeyZFLVFFXAQJTQJD-OJIDYULOSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene (CID 89009982) is (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene is C/C=C(\C=C/C(=C/OC)OC)CC.
What is the InChIKey of (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene?
The InChIKey is ZFLVFFXAQJTQJD-OJIDYULOSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-10(6-2)7-8-11(13-4)9-12-3/h5,7-9H,6H2,1-4H3/b8-7-,10-5-,11-9-.
What are the key properties of (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene?
(1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene has a molecular weight of 182.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-5-ethyl-1,2-dimethoxyhepta-1,3,5-triene is sourced from PubChem (CID 89009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).