ethane;4-ethyl-4-methylnonane

C14H32 — CID 164538733

IUPACethane;4-ethyl-4-methylnonane
SMILESCC.CCCCCC(C)(CC)CCC
InChIInChI=1S/C12H26.C2H6/c1-5-8-9-11-12(4,7-3)10-6-2;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyCVKUSQNUBVQBPI-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.81
Rot. Bonds7

About ethane;4-ethyl-4-methylnonane

ethane;4-ethyl-4-methylnonane (PubChem CID 164538733) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is ethane;4-ethyl-4-methylnonane.

Molecular Properties

Compound Nameethane;4-ethyl-4-methylnonane
PubChem CID164538733
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Nameethane;4-ethyl-4-methylnonane
SMILESCC.CCCCCC(C)(CC)CCC
InChIInChI=1S/C12H26.C2H6/c1-5-8-9-11-12(4,7-3)10-6-2;1-2/h5-11H2,1-4H3;1-2H3
InChIKeyCVKUSQNUBVQBPI-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;4-ethyl-4-methylnonane 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

5-ethyl-5-methylundecane
CID 57491570
4-ethyl-4-methyloctane;propane
CID 176660925
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
4-methyl-4-propylnonane
CID 54241684
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
4-(bromomethyl)-4-methylnonane
CID 66048915
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
4-ethyl-4-methyloctane;isocyanic acid
CID 87136372

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4-methylnonane?
The IUPAC name of ethane;4-ethyl-4-methylnonane (CID 164538733) is ethane;4-ethyl-4-methylnonane.
What is the SMILES notation for ethane;4-ethyl-4-methylnonane?
The canonical SMILES for ethane;4-ethyl-4-methylnonane is CC.CCCCCC(C)(CC)CCC.
What is the InChIKey of ethane;4-ethyl-4-methylnonane?
The InChIKey is CVKUSQNUBVQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C2H6/c1-5-8-9-11-12(4,7-3)10-6-2;1-2/h5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;4-ethyl-4-methylnonane?
ethane;4-ethyl-4-methylnonane has a molecular weight of 200.41 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4-methylnonane is sourced from PubChem (CID 164538733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).