4,9-diethyl-6-(2-ethylpentyl)dodecane

C23H48 — CID 59445443

IUPAC4,9-diethyl-6-(2-ethylpentyl)dodecane
SMILESCCCC(CC)CCC(CC(CC)CCC)CC(CC)CCC
InChIInChI=1S/C23H48/c1-7-13-20(10-4)16-17-23(18-21(11-5)14-8-2)19-22(12-6)15-9-3/h20-23H,7-19H2,1-6H3
InChIKeyCYWZWELSISYKRQ-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.64
Rot. Bonds16

About 4,9-diethyl-6-(2-ethylpentyl)dodecane

4,9-diethyl-6-(2-ethylpentyl)dodecane (PubChem CID 59445443) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 4,9-diethyl-6-(2-ethylpentyl)dodecane.

Molecular Properties

Compound Name4,9-diethyl-6-(2-ethylpentyl)dodecane
PubChem CID59445443
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name4,9-diethyl-6-(2-ethylpentyl)dodecane
SMILESCCCC(CC)CCC(CC(CC)CCC)CC(CC)CCC
InChIInChI=1S/C23H48/c1-7-13-20(10-4)16-17-23(18-21(11-5)14-8-2)19-22(12-6)15-9-3/h20-23H,7-19H2,1-6H3
InChIKeyCYWZWELSISYKRQ-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,9-diethyl-6-(2-ethylpentyl)dodecane 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

4-ethylheptane;methane
CID 143165373
3,5,8-triethyldecane-1,10-diol
CID 87065848
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,8,10-triethylpentadecane
CID 123791231
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-6-propyltetradecane
CID 91553020
6-ethyl-3-methylnonane;methane
CID 142358245
5-ethyloctan-2-ol
CID 20725141
CID 160839086
CID 160839086
6-butyl-4,8-dipropylundecane
CID 158410657

Frequently Asked Questions

What is the IUPAC name of 4,9-diethyl-6-(2-ethylpentyl)dodecane?
The IUPAC name of 4,9-diethyl-6-(2-ethylpentyl)dodecane (CID 59445443) is 4,9-diethyl-6-(2-ethylpentyl)dodecane.
What is the SMILES notation for 4,9-diethyl-6-(2-ethylpentyl)dodecane?
The canonical SMILES for 4,9-diethyl-6-(2-ethylpentyl)dodecane is CCCC(CC)CCC(CC(CC)CCC)CC(CC)CCC.
What is the InChIKey of 4,9-diethyl-6-(2-ethylpentyl)dodecane?
The InChIKey is CYWZWELSISYKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-7-13-20(10-4)16-17-23(18-21(11-5)14-8-2)19-22(12-6)15-9-3/h20-23H,7-19H2,1-6H3.
What are the key properties of 4,9-diethyl-6-(2-ethylpentyl)dodecane?
4,9-diethyl-6-(2-ethylpentyl)dodecane has a molecular weight of 324.64 g/mol, XLogP of 8.64, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diethyl-6-(2-ethylpentyl)dodecane is sourced from PubChem (CID 59445443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).