4-ethyl-2,4,6-trimethyl-6-propylundecane

C19H40 — CID 123302800

IUPAC4-ethyl-2,4,6-trimethyl-6-propylundecane
SMILESCCCCCC(C)(CCC)CC(C)(CC)CC(C)C
InChIInChI=1S/C19H40/c1-8-11-12-14-19(7,13-9-2)16-18(6,10-3)15-17(4)5/h17H,8-16H2,1-7H3
InChIKeyYTLJADDXTWDOJN-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.23
Rot. Bonds11

About 4-ethyl-2,4,6-trimethyl-6-propylundecane

4-ethyl-2,4,6-trimethyl-6-propylundecane (PubChem CID 123302800) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 4-ethyl-2,4,6-trimethyl-6-propylundecane.

Molecular Properties

Compound Name4-ethyl-2,4,6-trimethyl-6-propylundecane
PubChem CID123302800
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name4-ethyl-2,4,6-trimethyl-6-propylundecane
SMILESCCCCCC(C)(CCC)CC(C)(CC)CC(C)C
InChIInChI=1S/C19H40/c1-8-11-12-14-19(7,13-9-2)16-18(6,10-3)15-17(4)5/h17H,8-16H2,1-7H3
InChIKeyYTLJADDXTWDOJN-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,4-dimethylundecane
CID 22481197
2,4-dimethyl-4-propyloctane
CID 57491235
ethane;4-ethyl-4-methylnonane
CID 164538733
4-methyl-4-propylnonane
CID 54241684
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
2,4-dimethylnonan-4-ol
CID 3018500
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
4-ethyl-4-methyloctane;propane
CID 176660925

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4,6-trimethyl-6-propylundecane?
The IUPAC name of 4-ethyl-2,4,6-trimethyl-6-propylundecane (CID 123302800) is 4-ethyl-2,4,6-trimethyl-6-propylundecane.
What is the SMILES notation for 4-ethyl-2,4,6-trimethyl-6-propylundecane?
The canonical SMILES for 4-ethyl-2,4,6-trimethyl-6-propylundecane is CCCCCC(C)(CCC)CC(C)(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2,4,6-trimethyl-6-propylundecane?
The InChIKey is YTLJADDXTWDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-8-11-12-14-19(7,13-9-2)16-18(6,10-3)15-17(4)5/h17H,8-16H2,1-7H3.
What are the key properties of 4-ethyl-2,4,6-trimethyl-6-propylundecane?
4-ethyl-2,4,6-trimethyl-6-propylundecane has a molecular weight of 268.53 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4,6-trimethyl-6-propylundecane is sourced from PubChem (CID 123302800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).