7-ethyltridecane;methane

C17H40 — CID 158982306

IUPAC7-ethyltridecane;methane
SMILESC.C.CCCCCCC(CC)CCCCCC
InChIInChI=1S/C15H32.2CH4/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2;;/h15H,4-14H2,1-3H3;2*1H4
InChIKeyJPDQBTCETLFOJN-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.23
Rot. Bonds11

About 7-ethyltridecane;methane

7-ethyltridecane;methane (PubChem CID 158982306) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is 7-ethyltridecane;methane.

Molecular Properties

Compound Name7-ethyltridecane;methane
PubChem CID158982306
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Name7-ethyltridecane;methane
SMILESC.C.CCCCCCC(CC)CCCCCC
InChIInChI=1S/C15H32.2CH4/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2;;/h15H,4-14H2,1-3H3;2*1H4
InChIKeyJPDQBTCETLFOJN-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-ethyltridecane;methane 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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
8-(3-ethylhexyl)hexadecane
CID 123944120
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of 7-ethyltridecane;methane?
The IUPAC name of 7-ethyltridecane;methane (CID 158982306) is 7-ethyltridecane;methane.
What is the SMILES notation for 7-ethyltridecane;methane?
The canonical SMILES for 7-ethyltridecane;methane is C.C.CCCCCCC(CC)CCCCCC.
What is the InChIKey of 7-ethyltridecane;methane?
The InChIKey is JPDQBTCETLFOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.2CH4/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2;;/h15H,4-14H2,1-3H3;2*1H4.
What are the key properties of 7-ethyltridecane;methane?
7-ethyltridecane;methane has a molecular weight of 244.51 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 7-ethyltridecane;methane is sourced from PubChem (CID 158982306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).