4-ethyl-6-propyltridecane

C18H38 — CID 90859634

IUPAC4-ethyl-6-propyltridecane
SMILESCCCCCCCC(CCC)CC(CC)CCC
InChIInChI=1S/C18H38/c1-5-9-10-11-12-15-18(14-7-3)16-17(8-4)13-6-2/h17-18H,5-16H2,1-4H3
InChIKeyMMLVENXZZGIYPE-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 4-ethyl-6-propyltridecane

4-ethyl-6-propyltridecane (PubChem CID 90859634) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 4-ethyl-6-propyltridecane.

Molecular Properties

Compound Name4-ethyl-6-propyltridecane
PubChem CID90859634
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name4-ethyl-6-propyltridecane
SMILESCCCCCCCC(CCC)CC(CC)CCC
InChIInChI=1S/C18H38/c1-5-9-10-11-12-15-18(14-7-3)16-17(8-4)13-6-2/h17-18H,5-16H2,1-4H3
InChIKeyMMLVENXZZGIYPE-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'}

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Related Compounds

4-ethyl-6-propyltetradecane
CID 91553020
8-ethyl-10-propyloctadecane
CID 91006189
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
8-heptyl-10-propyloctadecane
CID 90802423
7,9-dipropylhexadecane
CID 91047634
9-hexyl-7-propylheptadecane
CID 91243882
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
8-pentyl-6,10-dipropylpentadecane
CID 58892246
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propyltridecane?
The IUPAC name of 4-ethyl-6-propyltridecane (CID 90859634) is 4-ethyl-6-propyltridecane.
What is the SMILES notation for 4-ethyl-6-propyltridecane?
The canonical SMILES for 4-ethyl-6-propyltridecane is CCCCCCCC(CCC)CC(CC)CCC.
What is the InChIKey of 4-ethyl-6-propyltridecane?
The InChIKey is MMLVENXZZGIYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-9-10-11-12-15-18(14-7-3)16-17(8-4)13-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 4-ethyl-6-propyltridecane?
4-ethyl-6-propyltridecane 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 4-ethyl-6-propyltridecane is sourced from PubChem (CID 90859634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).