(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene

C14H24O2 — CID 129234808

IUPAC(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)OCCCCCOC
InChIInChI=1S/C14H24O2/c1-5-14(10-9-13(2)3)16-12-8-6-7-11-15-4/h5,9-10H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+
InChIKeySIENISDANSJXNA-DVBADTPPSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds9

About (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene

(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene (PubChem CID 129234808) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene
PubChem CID129234808
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)OCCCCCOC
InChIInChI=1S/C14H24O2/c1-5-14(10-9-13(2)3)16-12-8-6-7-11-15-4/h5,9-10H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+
InChIKeySIENISDANSJXNA-DVBADTPPSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene (CID 129234808) is (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene is C=C(C)/C=C\C(=C/C)OCCCCCOC.
What is the InChIKey of (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene?
The InChIKey is SIENISDANSJXNA-DVBADTPPSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-14(10-9-13(2)3)16-12-8-6-7-11-15-4/h5,9-10H,2,6-8,11-12H2,1,3-4H3/b10-9-,14-5+.
What are the key properties of (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene?
(3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene has a molecular weight of 224.34 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(5-methoxypentoxy)-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 129234808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).