5-ethyl-2-methyldeca-1,7-diene

C13H24 — CID 123598746

IUPAC5-ethyl-2-methyldeca-1,7-diene
SMILESC=C(C)CCC(CC)CC=CCC
InChIInChI=1S/C13H24/c1-5-7-8-9-13(6-2)11-10-12(3)4/h7-8,13H,3,5-6,9-11H2,1-2,4H3
InChIKeyPKHIUFPMSKGMEG-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds7

About 5-ethyl-2-methyldeca-1,7-diene

5-ethyl-2-methyldeca-1,7-diene (PubChem CID 123598746) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5-ethyl-2-methyldeca-1,7-diene.

Molecular Properties

Compound Name5-ethyl-2-methyldeca-1,7-diene
PubChem CID123598746
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5-ethyl-2-methyldeca-1,7-diene
SMILESC=C(C)CCC(CC)CC=CCC
InChIInChI=1S/C13H24/c1-5-7-8-9-13(6-2)11-10-12(3)4/h7-8,13H,3,5-6,9-11H2,1-2,4H3
InChIKeyPKHIUFPMSKGMEG-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
CID 162196667
(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene
CID 142222951
5-ethyloct-2-ene
CID 54276882
6,9-dimethylundec-3-ene
CID 90927797
6-methylhept-6-en-3-amine
CID 89243580
(7Z,10E)-2,5-dimethyldodeca-1,7,10-triene
CID 143072031
(5Z)-2,8,9-trimethyldeca-1,5-diene
CID 142222870
3-ethyl-7-methylidenedec-5-ene
CID 91151105
2-ethyloct-5-en-1-ol
CID 54387692

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyldeca-1,7-diene?
The IUPAC name of 5-ethyl-2-methyldeca-1,7-diene (CID 123598746) is 5-ethyl-2-methyldeca-1,7-diene.
What is the SMILES notation for 5-ethyl-2-methyldeca-1,7-diene?
The canonical SMILES for 5-ethyl-2-methyldeca-1,7-diene is C=C(C)CCC(CC)CC=CCC.
What is the InChIKey of 5-ethyl-2-methyldeca-1,7-diene?
The InChIKey is PKHIUFPMSKGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-7-8-9-13(6-2)11-10-12(3)4/h7-8,13H,3,5-6,9-11H2,1-2,4H3.
What are the key properties of 5-ethyl-2-methyldeca-1,7-diene?
5-ethyl-2-methyldeca-1,7-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyldeca-1,7-diene is sourced from PubChem (CID 123598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).