5-ethyl-3,7-dimethylundeca-3,7-diene

C15H28 — CID 123154835

IUPAC5-ethyl-3,7-dimethylundeca-3,7-diene
SMILESCCCC=C(C)CC(C=C(C)CC)CC
InChIInChI=1S/C15H28/c1-6-9-10-14(5)12-15(8-3)11-13(4)7-2/h10-11,15H,6-9,12H2,1-5H3
InChIKeySAUYTHKHGUFBCN-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds7

About 5-ethyl-3,7-dimethylundeca-3,7-diene

5-ethyl-3,7-dimethylundeca-3,7-diene (PubChem CID 123154835) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 5-ethyl-3,7-dimethylundeca-3,7-diene.

Molecular Properties

Compound Name5-ethyl-3,7-dimethylundeca-3,7-diene
PubChem CID123154835
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name5-ethyl-3,7-dimethylundeca-3,7-diene
SMILESCCCC=C(C)CC(C=C(C)CC)CC
InChIInChI=1S/C15H28/c1-6-9-10-14(5)12-15(8-3)11-13(4)7-2/h10-11,15H,6-9,12H2,1-5H3
InChIKeySAUYTHKHGUFBCN-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.51
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

3-methylundeca-3,7-diene
CID 57021497
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
CID 46189708
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(E,3S)-7-methylnon-6-en-3-ol
CID 14103265
(E)-3-methylnon-3-ene
CID 5364647
8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 91227290
(E)-3,5-dimethyloct-3-ene
CID 169006712
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,7-dimethylundeca-3,7-diene?
The IUPAC name of 5-ethyl-3,7-dimethylundeca-3,7-diene (CID 123154835) is 5-ethyl-3,7-dimethylundeca-3,7-diene.
What is the SMILES notation for 5-ethyl-3,7-dimethylundeca-3,7-diene?
The canonical SMILES for 5-ethyl-3,7-dimethylundeca-3,7-diene is CCCC=C(C)CC(C=C(C)CC)CC.
What is the InChIKey of 5-ethyl-3,7-dimethylundeca-3,7-diene?
The InChIKey is SAUYTHKHGUFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-9-10-14(5)12-15(8-3)11-13(4)7-2/h10-11,15H,6-9,12H2,1-5H3.
What are the key properties of 5-ethyl-3,7-dimethylundeca-3,7-diene?
5-ethyl-3,7-dimethylundeca-3,7-diene has a molecular weight of 208.39 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,7-dimethylundeca-3,7-diene is sourced from PubChem (CID 123154835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).