1-methoxy-4,8-dimethylnonane

C12H26O — CID 90974533

IUPAC1-methoxy-4,8-dimethylnonane
SMILESCOCCCC(C)CCCC(C)C
InChIInChI=1S/C12H26O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h11-12H,5-10H2,1-4H3
InChIKeyAMRJURJYWRHUNN-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.88
Rot. Bonds8

About 1-methoxy-4,8-dimethylnonane

1-methoxy-4,8-dimethylnonane (PubChem CID 90974533) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-methoxy-4,8-dimethylnonane.

Molecular Properties

Compound Name1-methoxy-4,8-dimethylnonane
PubChem CID90974533
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name1-methoxy-4,8-dimethylnonane
SMILESCOCCCC(C)CCCC(C)C
InChIInChI=1S/C12H26O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h11-12H,5-10H2,1-4H3
InChIKeyAMRJURJYWRHUNN-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-4,8-dimethylnonane 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

1-methoxy-3,10-dimethylundecane
CID 154134706
2,5,9,13-tetramethyltetradecane
CID 58292409
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
1-methoxy-6-methylheptan-2-amine
CID 62320003
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
1,11-dimethoxy-2-methylundecane
CID 118982395
CID 175745189
CID 175745189
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-methoxy-7-methyloctan-4-amine
CID 62603924
(2R)-1-(methoxymethoxy)-2,6-dimethylheptane
CID 23636467

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,8-dimethylnonane?
The IUPAC name of 1-methoxy-4,8-dimethylnonane (CID 90974533) is 1-methoxy-4,8-dimethylnonane.
What is the SMILES notation for 1-methoxy-4,8-dimethylnonane?
The canonical SMILES for 1-methoxy-4,8-dimethylnonane is COCCCC(C)CCCC(C)C.
What is the InChIKey of 1-methoxy-4,8-dimethylnonane?
The InChIKey is AMRJURJYWRHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-4,8-dimethylnonane?
1-methoxy-4,8-dimethylnonane has a molecular weight of 186.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,8-dimethylnonane is sourced from PubChem (CID 90974533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).