3-methylundeca-2,5,7-triene

C12H20 — CID 56999548

IUPAC3-methylundeca-2,5,7-triene
SMILESCC=C(C)CC=CC=CCCC
InChIInChI=1S/C12H20/c1-4-6-7-8-9-10-11-12(3)5-2/h5,7-10H,4,6,11H2,1-3H3
InChIKeyFPAKXIJNIFWYJN-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds5

About 3-methylundeca-2,5,7-triene

3-methylundeca-2,5,7-triene (PubChem CID 56999548) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-methylundeca-2,5,7-triene.

Molecular Properties

Compound Name3-methylundeca-2,5,7-triene
PubChem CID56999548
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-methylundeca-2,5,7-triene
SMILESCC=C(C)CC=CC=CCCC
InChIInChI=1S/C12H20/c1-4-6-7-8-9-10-11-12(3)5-2/h5,7-10H,4,6,11H2,1-3H3
InChIKeyFPAKXIJNIFWYJN-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-nona-3,5-dien-2-one
CID 131243861
(5E)-2-methylnona-2,3,5-triene
CID 14173231
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
1-ethylidenephosphanyl-N-propylnona-3,5-dien-1-imine
CID 123708814
octa-2,4-dien-1-amine
CID 3847298
hepta-1,3-dienylboronic acid
CID 85176249
(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
(6E)-octadeca-4,6-diene
CID 173243345
(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(4E)-octa-2,4-dienal
CID 175603405
methyl deca-2,4,6-trienoate
CID 57131946

Frequently Asked Questions

What is the IUPAC name of 3-methylundeca-2,5,7-triene?
The IUPAC name of 3-methylundeca-2,5,7-triene (CID 56999548) is 3-methylundeca-2,5,7-triene.
What is the SMILES notation for 3-methylundeca-2,5,7-triene?
The canonical SMILES for 3-methylundeca-2,5,7-triene is CC=C(C)CC=CC=CCCC.
What is the InChIKey of 3-methylundeca-2,5,7-triene?
The InChIKey is FPAKXIJNIFWYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-6-7-8-9-10-11-12(3)5-2/h5,7-10H,4,6,11H2,1-3H3.
What are the key properties of 3-methylundeca-2,5,7-triene?
3-methylundeca-2,5,7-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylundeca-2,5,7-triene is sourced from PubChem (CID 56999548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).