(E)-16-(methoxymethoxy)hexadec-4-ene

C18H36O2 — CID 11781082

IUPAC(E)-16-(methoxymethoxy)hexadec-4-ene
SMILESCCC/C=C/CCCCCCCCCCCOCOC
InChIInChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h5-6H,3-4,7-18H2,1-2H3/b6-5+
InChIKeyWRUVJWQPLQZSCJ-AATRIKPKSA-N
MW284.48 g/mol
LogP5.86
Rot. Bonds16

About (E)-16-(methoxymethoxy)hexadec-4-ene

(E)-16-(methoxymethoxy)hexadec-4-ene (PubChem CID 11781082) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (E)-16-(methoxymethoxy)hexadec-4-ene.

Molecular Properties

Compound Name(E)-16-(methoxymethoxy)hexadec-4-ene
PubChem CID11781082
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(E)-16-(methoxymethoxy)hexadec-4-ene
SMILESCCC/C=C/CCCCCCCCCCCOCOC
InChIInChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h5-6H,3-4,7-18H2,1-2H3/b6-5+
InChIKeyWRUVJWQPLQZSCJ-AATRIKPKSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-16-(methoxymethoxy)hexadec-4-ene?
The IUPAC name of (E)-16-(methoxymethoxy)hexadec-4-ene (CID 11781082) is (E)-16-(methoxymethoxy)hexadec-4-ene.
What is the SMILES notation for (E)-16-(methoxymethoxy)hexadec-4-ene?
The canonical SMILES for (E)-16-(methoxymethoxy)hexadec-4-ene is CCC/C=C/CCCCCCCCCCCOCOC.
What is the InChIKey of (E)-16-(methoxymethoxy)hexadec-4-ene?
The InChIKey is WRUVJWQPLQZSCJ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-2/h5-6H,3-4,7-18H2,1-2H3/b6-5+.
What are the key properties of (E)-16-(methoxymethoxy)hexadec-4-ene?
(E)-16-(methoxymethoxy)hexadec-4-ene has a molecular weight of 284.48 g/mol, XLogP of 5.86, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-16-(methoxymethoxy)hexadec-4-ene is sourced from PubChem (CID 11781082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).