6-ethyl-5-ethylidene-7-propyltridecane

C20H40 — CID 123635810

IUPAC6-ethyl-5-ethylidene-7-propyltridecane
SMILESCC=C(CCCC)C(CC)C(CCC)CCCCCC
InChIInChI=1S/C20H40/c1-6-11-13-14-17-19(15-8-3)20(10-5)18(9-4)16-12-7-2/h9,19-20H,6-8,10-17H2,1-5H3
InChIKeyKZNLBGKACHPHHO-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.54
Rot. Bonds13

About 6-ethyl-5-ethylidene-7-propyltridecane

6-ethyl-5-ethylidene-7-propyltridecane (PubChem CID 123635810) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 6-ethyl-5-ethylidene-7-propyltridecane.

Molecular Properties

Compound Name6-ethyl-5-ethylidene-7-propyltridecane
PubChem CID123635810
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name6-ethyl-5-ethylidene-7-propyltridecane
SMILESCC=C(CCCC)C(CC)C(CCC)CCCCCC
InChIInChI=1S/C20H40/c1-6-11-13-14-17-19(15-8-3)20(10-5)18(9-4)16-12-7-2/h9,19-20H,6-8,10-17H2,1-5H3
InChIKeyKZNLBGKACHPHHO-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
7-ethyl-6-propyltridecane
CID 530352
4-propan-2-yldecane
CID 15038736
6,7-dipropyldodecane
CID 529940
5-(2-methylpent-1-en-3-yl)undecane
CID 123769416
4-ethylidene-3-methyloctane
CID 90798217
9,10-diethyloctadecane
CID 530164
3-octyl-4-propylhexane-1,6-diol
CID 154092864
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-ethylidene-7-propyltridecane?
The IUPAC name of 6-ethyl-5-ethylidene-7-propyltridecane (CID 123635810) is 6-ethyl-5-ethylidene-7-propyltridecane.
What is the SMILES notation for 6-ethyl-5-ethylidene-7-propyltridecane?
The canonical SMILES for 6-ethyl-5-ethylidene-7-propyltridecane is CC=C(CCCC)C(CC)C(CCC)CCCCCC.
What is the InChIKey of 6-ethyl-5-ethylidene-7-propyltridecane?
The InChIKey is KZNLBGKACHPHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-6-11-13-14-17-19(15-8-3)20(10-5)18(9-4)16-12-7-2/h9,19-20H,6-8,10-17H2,1-5H3.
What are the key properties of 6-ethyl-5-ethylidene-7-propyltridecane?
6-ethyl-5-ethylidene-7-propyltridecane has a molecular weight of 280.54 g/mol, XLogP of 7.54, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-ethylidene-7-propyltridecane is sourced from PubChem (CID 123635810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).