(3R)-3-ethyl-1-methoxynonane

C12H26O — CID 118890071

IUPAC(3R)-3-ethyl-1-methoxynonane
SMILESCCCCCC[C@@H](CC)CCOC
InChIInChI=1S/C12H26O/c1-4-6-7-8-9-12(5-2)10-11-13-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJVCBFEIIGKFGJO-GFCCVEGCSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds9

About (3R)-3-ethyl-1-methoxynonane

(3R)-3-ethyl-1-methoxynonane (PubChem CID 118890071) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (3R)-3-ethyl-1-methoxynonane.

Molecular Properties

Compound Name(3R)-3-ethyl-1-methoxynonane
PubChem CID118890071
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(3R)-3-ethyl-1-methoxynonane
SMILESCCCCCC[C@@H](CC)CCOC
InChIInChI=1S/C12H26O/c1-4-6-7-8-9-12(5-2)10-11-13-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJVCBFEIIGKFGJO-GFCCVEGCSA-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 (3R)-3-ethyl-1-methoxynonane 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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
4-ethyl-1,11-dimethoxyundecane
CID 171750193
7-ethyltridecane;methane
CID 158982306
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
19-(methoxymethyl)heptatriacontane
CID 59499210
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-methoxynonane?
The IUPAC name of (3R)-3-ethyl-1-methoxynonane (CID 118890071) is (3R)-3-ethyl-1-methoxynonane.
What is the SMILES notation for (3R)-3-ethyl-1-methoxynonane?
The canonical SMILES for (3R)-3-ethyl-1-methoxynonane is CCCCCC[C@@H](CC)CCOC.
What is the InChIKey of (3R)-3-ethyl-1-methoxynonane?
The InChIKey is JVCBFEIIGKFGJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-7-8-9-12(5-2)10-11-13-3/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-methoxynonane?
(3R)-3-ethyl-1-methoxynonane 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 (3R)-3-ethyl-1-methoxynonane is sourced from PubChem (CID 118890071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).