(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene

C12H20O2 — CID 129189949

IUPAC(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(CCOC)\C(=C/C)OC
InChIInChI=1S/C12H20O2/c1-6-10(3)11(8-9-13-4)12(7-2)14-5/h6-7H,1,8-9H2,2-5H3/b11-10-,12-7+
InChIKeyLPUIDXHRSNXNJF-LVILPVEGSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds6

About (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene

(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene (PubChem CID 129189949) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene
PubChem CID129189949
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(CCOC)\C(=C/C)OC
InChIInChI=1S/C12H20O2/c1-6-10(3)11(8-9-13-4)12(7-2)14-5/h6-7H,1,8-9H2,2-5H3/b11-10-,12-7+
InChIKeyLPUIDXHRSNXNJF-LVILPVEGSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
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 (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene (CID 129189949) is (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene is C=C/C(C)=C(CCOC)\C(=C/C)OC.
What is the InChIKey of (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene?
The InChIKey is LPUIDXHRSNXNJF-LVILPVEGSA-N. The full InChI is InChI=1S/C12H20O2/c1-6-10(3)11(8-9-13-4)12(7-2)14-5/h6-7H,1,8-9H2,2-5H3/b11-10-,12-7+.
What are the key properties of (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene?
(3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-4-(2-methoxyethyl)-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 129189949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).