6,9-dimethylundec-3-ene

C13H26 — CID 90927797

IUPAC6,9-dimethylundec-3-ene
SMILESCCC=CCC(C)CCC(C)CC
InChIInChI=1S/C13H26/c1-5-7-8-9-13(4)11-10-12(3)6-2/h7-8,12-13H,5-6,9-11H2,1-4H3
InChIKeyOATQPXREFRGSRA-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 6,9-dimethylundec-3-ene

6,9-dimethylundec-3-ene (PubChem CID 90927797) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 6,9-dimethylundec-3-ene.

Molecular Properties

Compound Name6,9-dimethylundec-3-ene
PubChem CID90927797
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name6,9-dimethylundec-3-ene
SMILESCCC=CCC(C)CCC(C)CC
InChIInChI=1S/C13H26/c1-5-7-8-9-13(4)11-10-12(3)6-2/h7-8,12-13H,5-6,9-11H2,1-4H3
InChIKeyOATQPXREFRGSRA-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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

(E)-6-methylhexadec-3-ene
CID 173194211
8-methyldec-3-ene
CID 54115614
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
CID 162845689
dec-1-ene;6-methyloct-3-ene
CID 173182573
(E)-5-methylhept-2-ene
CID 5364849
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
10-methylundeca-3,7-diene
CID 91333064
3,9-dimethylundeca-1,6-diene
CID 173245384

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethylundec-3-ene?
The IUPAC name of 6,9-dimethylundec-3-ene (CID 90927797) is 6,9-dimethylundec-3-ene.
What is the SMILES notation for 6,9-dimethylundec-3-ene?
The canonical SMILES for 6,9-dimethylundec-3-ene is CCC=CCC(C)CCC(C)CC.
What is the InChIKey of 6,9-dimethylundec-3-ene?
The InChIKey is OATQPXREFRGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-8-9-13(4)11-10-12(3)6-2/h7-8,12-13H,5-6,9-11H2,1-4H3.
What are the key properties of 6,9-dimethylundec-3-ene?
6,9-dimethylundec-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethylundec-3-ene is sourced from PubChem (CID 90927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).