4-(ethoxymethyl)nonane

C12H26O — CID 87066523

IUPAC4-(ethoxymethyl)nonane
SMILESCCCCCC(CCC)COCC
InChIInChI=1S/C12H26O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h12H,4-11H2,1-3H3
InChIKeyNCUQUVAJKWKUSB-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds9

About 4-(ethoxymethyl)nonane

4-(ethoxymethyl)nonane (PubChem CID 87066523) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-(ethoxymethyl)nonane.

Molecular Properties

Compound Name4-(ethoxymethyl)nonane
PubChem CID87066523
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4-(ethoxymethyl)nonane
SMILESCCCCCC(CCC)COCC
InChIInChI=1S/C12H26O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h12H,4-11H2,1-3H3
InChIKeyNCUQUVAJKWKUSB-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(ethoxymethyl)nonane with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-propylheptoxymethyl)nonane
CID 56652319
4-(butoxymethyl)nonane
CID 87066766
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
oxirane;4-(2-propylheptoxymethyl)nonane
CID 157371001
2-(2-propylnonoxy)ethanol
CID 168837428
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
tris(2-propylheptyl) borate
CID 89239536
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)nonane?
The IUPAC name of 4-(ethoxymethyl)nonane (CID 87066523) is 4-(ethoxymethyl)nonane.
What is the SMILES notation for 4-(ethoxymethyl)nonane?
The canonical SMILES for 4-(ethoxymethyl)nonane is CCCCCC(CCC)COCC.
What is the InChIKey of 4-(ethoxymethyl)nonane?
The InChIKey is NCUQUVAJKWKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-7-8-10-12(9-5-2)11-13-6-3/h12H,4-11H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)nonane?
4-(ethoxymethyl)nonane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)nonane is sourced from PubChem (CID 87066523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).