(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene

C13H22 — CID 58373550

IUPAC(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
SMILESCC(C)/C=C/C=C/C=C/CC(C)C
InChIInChI=1S/C13H22/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-10,12-13H,11H2,1-4H3/b6-5+,9-7+,10-8+
InChIKeyZTOKCSMTDIAELJ-NRIIQWGUSA-N
MW178.32 g/mol
LogP4.36
Rot. Bonds5

About (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene

(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene (PubChem CID 58373550) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene.

Molecular Properties

Compound Name(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
PubChem CID58373550
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
SMILESCC(C)/C=C/C=C/C=C/CC(C)C
InChIInChI=1S/C13H22/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-10,12-13H,11H2,1-4H3/b6-5+,9-7+,10-8+
InChIKeyZTOKCSMTDIAELJ-NRIIQWGUSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde
CID 59977187
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
CID 171485746
2-methylhexadeca-3,5-diene
CID 140995829
7-methylocta-1,2,4-triene
CID 90858140
(4E,6E)-8-methylnona-4,6-dienoic acid
CID 169444513
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene?
The IUPAC name of (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene (CID 58373550) is (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene.
What is the SMILES notation for (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene?
The canonical SMILES for (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene is CC(C)/C=C/C=C/C=C/CC(C)C.
What is the InChIKey of (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene?
The InChIKey is ZTOKCSMTDIAELJ-NRIIQWGUSA-N. The full InChI is InChI=1S/C13H22/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-10,12-13H,11H2,1-4H3/b6-5+,9-7+,10-8+.
What are the key properties of (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene?
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene has a molecular weight of 178.32 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene is sourced from PubChem (CID 58373550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).