8-(methoxymethoxy)octanal

C10H20O3 — CID 13319193

IUPAC8-(methoxymethoxy)octanal
SMILESCOCOCCCCCCCC=O
InChIInChI=1S/C10H20O3/c1-12-10-13-9-7-5-3-2-4-6-8-11/h8H,2-7,9-10H2,1H3
InChIKeyGXJCOQWQKPSQKQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds10

About 8-(methoxymethoxy)octanal

8-(methoxymethoxy)octanal (PubChem CID 13319193) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8-(methoxymethoxy)octanal.

Molecular Properties

Compound Name8-(methoxymethoxy)octanal
PubChem CID13319193
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name8-(methoxymethoxy)octanal
SMILESCOCOCCCCCCCC=O
InChIInChI=1S/C10H20O3/c1-12-10-13-9-7-5-3-2-4-6-8-11/h8H,2-7,9-10H2,1H3
InChIKeyGXJCOQWQKPSQKQ-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethoxy)octanal?
The IUPAC name of 8-(methoxymethoxy)octanal (CID 13319193) is 8-(methoxymethoxy)octanal.
What is the SMILES notation for 8-(methoxymethoxy)octanal?
The canonical SMILES for 8-(methoxymethoxy)octanal is COCOCCCCCCCC=O.
What is the InChIKey of 8-(methoxymethoxy)octanal?
The InChIKey is GXJCOQWQKPSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-12-10-13-9-7-5-3-2-4-6-8-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 8-(methoxymethoxy)octanal?
8-(methoxymethoxy)octanal has a molecular weight of 188.27 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethoxy)octanal is sourced from PubChem (CID 13319193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).