7-ethyl-6-propyltridecane

C18H38 — CID 530352

IUPAC7-ethyl-6-propyltridecane
SMILESCCCCCCC(CC)C(CCC)CCCCC
InChIInChI=1S/C18H38/c1-5-9-11-13-15-17(8-4)18(14-7-3)16-12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyCLJKRTSBRZETFQ-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.98
Rot. Bonds13

About 7-ethyl-6-propyltridecane

7-ethyl-6-propyltridecane (PubChem CID 530352) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 7-ethyl-6-propyltridecane.

Molecular Properties

Compound Name7-ethyl-6-propyltridecane
PubChem CID530352
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name7-ethyl-6-propyltridecane
SMILESCCCCCCC(CC)C(CCC)CCCCC
InChIInChI=1S/C18H38/c1-5-9-11-13-15-17(8-4)18(14-7-3)16-12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyCLJKRTSBRZETFQ-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

19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
4,5-dipropyltetradecane
CID 21490606
9,10-diethyloctadecane
CID 530164
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
5,6-diethyldodecane
CID 90761715
6-ethyl-2-methyl-7-propylpentadecane
CID 123507470
6,7-dipropyldodecane
CID 529940
8-ethyl-4-methyl-7-propyltetradecane
CID 90981946
4,5-diethylnonane
CID 21188862

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-propyltridecane?
The IUPAC name of 7-ethyl-6-propyltridecane (CID 530352) is 7-ethyl-6-propyltridecane.
What is the SMILES notation for 7-ethyl-6-propyltridecane?
The canonical SMILES for 7-ethyl-6-propyltridecane is CCCCCCC(CC)C(CCC)CCCCC.
What is the InChIKey of 7-ethyl-6-propyltridecane?
The InChIKey is CLJKRTSBRZETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-5-9-11-13-15-17(8-4)18(14-7-3)16-12-10-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 7-ethyl-6-propyltridecane?
7-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 7-ethyl-6-propyltridecane is sourced from PubChem (CID 530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).