5-butyl-6-ethyldodecane

C18H38 — CID 529932

IUPAC5-butyl-6-ethyldodecane
SMILESCCCCCCC(CC)C(CCCC)CCCC
InChIInChI=1S/C18H38/c1-5-9-12-13-16-17(8-4)18(14-10-6-2)15-11-7-3/h17-18H,5-16H2,1-4H3
InChIKeyJXACHSBKZJSUFZ-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 5-butyl-6-ethyldodecane

5-butyl-6-ethyldodecane (PubChem CID 529932) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 5-butyl-6-ethyldodecane.

Molecular Properties

Compound Name5-butyl-6-ethyldodecane
PubChem CID529932
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name5-butyl-6-ethyldodecane
SMILESCCCCCCC(CC)C(CCCC)CCCC
InChIInChI=1S/C18H38/c1-5-9-12-13-16-17(8-4)18(14-10-6-2)15-11-7-3/h17-18H,5-16H2,1-4H3
InChIKeyJXACHSBKZJSUFZ-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-butyl-6-ethyldodecane 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

19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
9,10-diethyloctadecane
CID 530164
7-ethyl-6-propyltridecane
CID 530352
8,9-dibutylhexadecane
CID 530025
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
4,5-diethylnonane
CID 21188862
8-hexyl-7-propyltriacontane
CID 21490607

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-ethyldodecane?
The IUPAC name of 5-butyl-6-ethyldodecane (CID 529932) is 5-butyl-6-ethyldodecane.
What is the SMILES notation for 5-butyl-6-ethyldodecane?
The canonical SMILES for 5-butyl-6-ethyldodecane is CCCCCCC(CC)C(CCCC)CCCC.
What is the InChIKey of 5-butyl-6-ethyldodecane?
The InChIKey is JXACHSBKZJSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-9-12-13-16-17(8-4)18(14-10-6-2)15-11-7-3/h17-18H,5-16H2,1-4H3.
What are the key properties of 5-butyl-6-ethyldodecane?
5-butyl-6-ethyldodecane has a molecular weight of 254.50 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-ethyldodecane is sourced from PubChem (CID 529932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).