2-methyl-8-(8-methylnonan-2-yloxy)nonane

C20H42O — CID 175712820

IUPAC2-methyl-8-(8-methylnonan-2-yloxy)nonane
SMILESCC(C)CCCCCC(C)OC(C)CCCCCC(C)C
InChIInChI=1S/C20H42O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyYXEONLFEQLGWIL-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.99
Rot. Bonds14

About 2-methyl-8-(8-methylnonan-2-yloxy)nonane

2-methyl-8-(8-methylnonan-2-yloxy)nonane (PubChem CID 175712820) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-methyl-8-(8-methylnonan-2-yloxy)nonane.

Molecular Properties

Compound Name2-methyl-8-(8-methylnonan-2-yloxy)nonane
PubChem CID175712820
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name2-methyl-8-(8-methylnonan-2-yloxy)nonane
SMILESCC(C)CCCCCC(C)OC(C)CCCCCC(C)C
InChIInChI=1S/C20H42O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-20H,7-16H2,1-6H3
InChIKeyYXEONLFEQLGWIL-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-8-(8-methylnonan-2-yloxy)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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2-methyl-6-propan-2-yloxyheptane
CID 158226475
2-hexan-2-yloxy-5-methylhexane
CID 91272362
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
tris(13-methyltetradecan-2-yloxy) phosphate
CID 142449051
(Z)-19-[(Z)-icos-11-en-2-yl]oxyicos-9-ene
CID 88819107
2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(8-methylnonan-2-yloxy)nonane?
The IUPAC name of 2-methyl-8-(8-methylnonan-2-yloxy)nonane (CID 175712820) is 2-methyl-8-(8-methylnonan-2-yloxy)nonane.
What is the SMILES notation for 2-methyl-8-(8-methylnonan-2-yloxy)nonane?
The canonical SMILES for 2-methyl-8-(8-methylnonan-2-yloxy)nonane is CC(C)CCCCCC(C)OC(C)CCCCCC(C)C.
What is the InChIKey of 2-methyl-8-(8-methylnonan-2-yloxy)nonane?
The InChIKey is YXEONLFEQLGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-17(2)13-9-7-11-15-19(5)21-20(6)16-12-8-10-14-18(3)4/h17-20H,7-16H2,1-6H3.
What are the key properties of 2-methyl-8-(8-methylnonan-2-yloxy)nonane?
2-methyl-8-(8-methylnonan-2-yloxy)nonane has a molecular weight of 298.56 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(8-methylnonan-2-yloxy)nonane is sourced from PubChem (CID 175712820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).