5-ethenyl-2-methyldodec-2-ene

C15H28 — CID 134980281

IUPAC5-ethenyl-2-methyldodec-2-ene
SMILESC=CC(CC=C(C)C)CCCCCCC
InChIInChI=1S/C15H28/c1-5-7-8-9-10-11-15(6-2)13-12-14(3)4/h6,12,15H,2,5,7-11,13H2,1,3-4H3
InChIKeyDKOGJORZVVWIJI-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds9

About 5-ethenyl-2-methyldodec-2-ene

5-ethenyl-2-methyldodec-2-ene (PubChem CID 134980281) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 5-ethenyl-2-methyldodec-2-ene.

Molecular Properties

Compound Name5-ethenyl-2-methyldodec-2-ene
PubChem CID134980281
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name5-ethenyl-2-methyldodec-2-ene
SMILESC=CC(CC=C(C)C)CCCCCCC
InChIInChI=1S/C15H28/c1-5-7-8-9-10-11-15(6-2)13-12-14(3)4/h6,12,15H,2,5,7-11,13H2,1,3-4H3
InChIKeyDKOGJORZVVWIJI-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
(3R)-3-ethyloct-1-ene
CID 50898077
(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene
CID 173288957
3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene
CID 173215859
4-ethenyldecane;octan-1-amine
CID 177360659
2-ethenylheptyl acetate
CID 12794026
(3R)-dec-1-en-3-ol
CID 12619485
undec-1-en-3-ol
CID 3015762
heptadec-1-en-3-ol
CID 11858939
ethenol;heptadecane
CID 158851930
2-prop-2-enyloctadecanal
CID 173235739

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyldodec-2-ene?
The IUPAC name of 5-ethenyl-2-methyldodec-2-ene (CID 134980281) is 5-ethenyl-2-methyldodec-2-ene.
What is the SMILES notation for 5-ethenyl-2-methyldodec-2-ene?
The canonical SMILES for 5-ethenyl-2-methyldodec-2-ene is C=CC(CC=C(C)C)CCCCCCC.
What is the InChIKey of 5-ethenyl-2-methyldodec-2-ene?
The InChIKey is DKOGJORZVVWIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-7-8-9-10-11-15(6-2)13-12-14(3)4/h6,12,15H,2,5,7-11,13H2,1,3-4H3.
What are the key properties of 5-ethenyl-2-methyldodec-2-ene?
5-ethenyl-2-methyldodec-2-ene has a molecular weight of 208.39 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyldodec-2-ene is sourced from PubChem (CID 134980281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).