2,3,9-trimethylundecane

C14H30 — CID 57491510

IUPAC2,3,9-trimethylundecane
SMILESCCC(C)CCCCCC(C)C(C)C
InChIInChI=1S/C14H30/c1-6-13(4)10-8-7-9-11-14(5)12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNGRHKPCQVPPBMO-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 2,3,9-trimethylundecane

2,3,9-trimethylundecane (PubChem CID 57491510) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,3,9-trimethylundecane.

Molecular Properties

Compound Name2,3,9-trimethylundecane
PubChem CID57491510
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,3,9-trimethylundecane
SMILESCCC(C)CCCCCC(C)C(C)C
InChIInChI=1S/C14H30/c1-6-13(4)10-8-7-9-11-14(5)12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyNGRHKPCQVPPBMO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,9-trimethylundecane 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

3,4,11-trimethyltridecane
CID 123211760
(2S)-3,9-dimethylundecan-2-ol
CID 101151522
2,3-dimethylbutane;3-methylundecane
CID 173307544
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
2,3-dimethylnonacosane
CID 71331945
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,13,19-trimethylheptatriacontane
CID 172565400
2,3,14,15-tetramethylhenicosane
CID 123460288

Frequently Asked Questions

What is the IUPAC name of 2,3,9-trimethylundecane?
The IUPAC name of 2,3,9-trimethylundecane (CID 57491510) is 2,3,9-trimethylundecane.
What is the SMILES notation for 2,3,9-trimethylundecane?
The canonical SMILES for 2,3,9-trimethylundecane is CCC(C)CCCCCC(C)C(C)C.
What is the InChIKey of 2,3,9-trimethylundecane?
The InChIKey is NGRHKPCQVPPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-13(4)10-8-7-9-11-14(5)12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 2,3,9-trimethylundecane?
2,3,9-trimethylundecane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-trimethylundecane is sourced from PubChem (CID 57491510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).