4-ethyl-5-pentan-2-yldecane

C17H36 — CID 123912945

IUPAC4-ethyl-5-pentan-2-yldecane
SMILESCCCCCC(C(C)CCC)C(CC)CCC
InChIInChI=1S/C17H36/c1-6-10-11-14-17(15(5)12-7-2)16(9-4)13-8-3/h15-17H,6-14H2,1-5H3
InChIKeySTYAZWQXRFEOFE-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 4-ethyl-5-pentan-2-yldecane

4-ethyl-5-pentan-2-yldecane (PubChem CID 123912945) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4-ethyl-5-pentan-2-yldecane.

Molecular Properties

Compound Name4-ethyl-5-pentan-2-yldecane
PubChem CID123912945
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4-ethyl-5-pentan-2-yldecane
SMILESCCCCCC(C(C)CCC)C(CC)CCC
InChIInChI=1S/C17H36/c1-6-10-11-14-17(15(5)12-7-2)16(9-4)13-8-3/h15-17H,6-14H2,1-5H3
InChIKeySTYAZWQXRFEOFE-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
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

9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
CID 91411258
7-ethyl-6-propyltridecane
CID 530352
4-ethyl-5,6-dimethylheptadecane
CID 123804751
9,10-diethyloctadecane
CID 530164
4,5-diethylnonane
CID 21188862
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
4,5-diethyloctane
CID 519254
8-ethyl-4-methyl-7-propyltetradecane
CID 90981946
4,5-dimethylnonadecane
CID 123321090
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pentan-2-yldecane?
The IUPAC name of 4-ethyl-5-pentan-2-yldecane (CID 123912945) is 4-ethyl-5-pentan-2-yldecane.
What is the SMILES notation for 4-ethyl-5-pentan-2-yldecane?
The canonical SMILES for 4-ethyl-5-pentan-2-yldecane is CCCCCC(C(C)CCC)C(CC)CCC.
What is the InChIKey of 4-ethyl-5-pentan-2-yldecane?
The InChIKey is STYAZWQXRFEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-10-11-14-17(15(5)12-7-2)16(9-4)13-8-3/h15-17H,6-14H2,1-5H3.
What are the key properties of 4-ethyl-5-pentan-2-yldecane?
4-ethyl-5-pentan-2-yldecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pentan-2-yldecane is sourced from PubChem (CID 123912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).