3-(methoxymethoxy)oct-1-ene

C10H20O2 — CID 542474

IUPAC3-(methoxymethoxy)oct-1-ene
SMILESC=CC(CCCCC)OCOC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9-11-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyZFRRXWJUXYQZBD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds8

About 3-(methoxymethoxy)oct-1-ene

3-(methoxymethoxy)oct-1-ene (PubChem CID 542474) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(methoxymethoxy)oct-1-ene.

Molecular Properties

Compound Name3-(methoxymethoxy)oct-1-ene
PubChem CID542474
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(methoxymethoxy)oct-1-ene
SMILESC=CC(CCCCC)OCOC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9-11-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyZFRRXWJUXYQZBD-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
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 3-(methoxymethoxy)oct-1-ene?
The IUPAC name of 3-(methoxymethoxy)oct-1-ene (CID 542474) is 3-(methoxymethoxy)oct-1-ene.
What is the SMILES notation for 3-(methoxymethoxy)oct-1-ene?
The canonical SMILES for 3-(methoxymethoxy)oct-1-ene is C=CC(CCCCC)OCOC.
What is the InChIKey of 3-(methoxymethoxy)oct-1-ene?
The InChIKey is ZFRRXWJUXYQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9-11-3/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 3-(methoxymethoxy)oct-1-ene?
3-(methoxymethoxy)oct-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)oct-1-ene is sourced from PubChem (CID 542474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).