1-(methoxymethoxy)oct-7-en-2-one

C10H18O3 — CID 101480489

IUPAC1-(methoxymethoxy)oct-7-en-2-one
SMILESC=CCCCCC(=O)COCOC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-10(11)8-13-9-12-2/h3H,1,4-9H2,2H3
InChIKeyOHSUYBREMDWVLT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds9

About 1-(methoxymethoxy)oct-7-en-2-one

1-(methoxymethoxy)oct-7-en-2-one (PubChem CID 101480489) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(methoxymethoxy)oct-7-en-2-one.

Molecular Properties

Compound Name1-(methoxymethoxy)oct-7-en-2-one
PubChem CID101480489
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(methoxymethoxy)oct-7-en-2-one
SMILESC=CCCCCC(=O)COCOC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-10(11)8-13-9-12-2/h3H,1,4-9H2,2H3
InChIKeyOHSUYBREMDWVLT-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(methoxymethoxy)oct-7-en-2-one?
The IUPAC name of 1-(methoxymethoxy)oct-7-en-2-one (CID 101480489) is 1-(methoxymethoxy)oct-7-en-2-one.
What is the SMILES notation for 1-(methoxymethoxy)oct-7-en-2-one?
The canonical SMILES for 1-(methoxymethoxy)oct-7-en-2-one is C=CCCCCC(=O)COCOC.
What is the InChIKey of 1-(methoxymethoxy)oct-7-en-2-one?
The InChIKey is OHSUYBREMDWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-10(11)8-13-9-12-2/h3H,1,4-9H2,2H3.
What are the key properties of 1-(methoxymethoxy)oct-7-en-2-one?
1-(methoxymethoxy)oct-7-en-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)oct-7-en-2-one is sourced from PubChem (CID 101480489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).