6-ethyl-2-methyldec-5-ene

C13H26 — CID 123276587

IUPAC6-ethyl-2-methyldec-5-ene
SMILESCCCCC(=CCCC(C)C)CC
InChIInChI=1S/C13H26/c1-5-7-10-13(6-2)11-8-9-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeySTKCBNOFNMXHSF-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds7

About 6-ethyl-2-methyldec-5-ene

6-ethyl-2-methyldec-5-ene (PubChem CID 123276587) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 6-ethyl-2-methyldec-5-ene.

Molecular Properties

Compound Name6-ethyl-2-methyldec-5-ene
PubChem CID123276587
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name6-ethyl-2-methyldec-5-ene
SMILESCCCCC(=CCCC(C)C)CC
InChIInChI=1S/C13H26/c1-5-7-10-13(6-2)11-8-9-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeySTKCBNOFNMXHSF-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyldec-5-ene?
The IUPAC name of 6-ethyl-2-methyldec-5-ene (CID 123276587) is 6-ethyl-2-methyldec-5-ene.
What is the SMILES notation for 6-ethyl-2-methyldec-5-ene?
The canonical SMILES for 6-ethyl-2-methyldec-5-ene is CCCCC(=CCCC(C)C)CC.
What is the InChIKey of 6-ethyl-2-methyldec-5-ene?
The InChIKey is STKCBNOFNMXHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-10-13(6-2)11-8-9-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 6-ethyl-2-methyldec-5-ene?
6-ethyl-2-methyldec-5-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyldec-5-ene is sourced from PubChem (CID 123276587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).