3-(methoxymethoxy)nonanal

C11H22O3 — CID 10081576

IUPAC3-(methoxymethoxy)nonanal
SMILESCCCCCCC(CC=O)OCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-11(8-9-12)14-10-13-2/h9,11H,3-8,10H2,1-2H3
InChIKeyJCABDBLLHKEXQE-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.53
Rot. Bonds10

About 3-(methoxymethoxy)nonanal

3-(methoxymethoxy)nonanal (PubChem CID 10081576) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(methoxymethoxy)nonanal.

Molecular Properties

Compound Name3-(methoxymethoxy)nonanal
PubChem CID10081576
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(methoxymethoxy)nonanal
SMILESCCCCCCC(CC=O)OCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-11(8-9-12)14-10-13-2/h9,11H,3-8,10H2,1-2H3
InChIKeyJCABDBLLHKEXQE-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.53
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'}

Analyze 3-(methoxymethoxy)nonanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)nonanal?
The IUPAC name of 3-(methoxymethoxy)nonanal (CID 10081576) is 3-(methoxymethoxy)nonanal.
What is the SMILES notation for 3-(methoxymethoxy)nonanal?
The canonical SMILES for 3-(methoxymethoxy)nonanal is CCCCCCC(CC=O)OCOC.
What is the InChIKey of 3-(methoxymethoxy)nonanal?
The InChIKey is JCABDBLLHKEXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-11(8-9-12)14-10-13-2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)nonanal?
3-(methoxymethoxy)nonanal has a molecular weight of 202.29 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)nonanal is sourced from PubChem (CID 10081576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).