5,6-dimethyldeca-2,4-diene

C12H22 — CID 91470784

IUPAC5,6-dimethyldeca-2,4-diene
SMILESCC=CC=C(C)C(C)CCCC
InChIInChI=1S/C12H22/c1-5-7-9-11(3)12(4)10-8-6-2/h5,7,9,12H,6,8,10H2,1-4H3
InChIKeyPZNJEERMKCHNHQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds5

About 5,6-dimethyldeca-2,4-diene

5,6-dimethyldeca-2,4-diene (PubChem CID 91470784) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 5,6-dimethyldeca-2,4-diene.

Molecular Properties

Compound Name5,6-dimethyldeca-2,4-diene
PubChem CID91470784
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name5,6-dimethyldeca-2,4-diene
SMILESCC=CC=C(C)C(C)CCCC
InChIInChI=1S/C12H22/c1-5-7-9-11(3)12(4)10-8-6-2/h5,7,9,12H,6,8,10H2,1-4H3
InChIKeyPZNJEERMKCHNHQ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
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

ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
7,8-dimethyltridec-6-ene
CID 123214902
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
4-methyl-3-methylsulfanyloct-2-ene
CID 123700850
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
5-butyl-3,4-dimethyldec-2-ene
CID 123501765

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyldeca-2,4-diene?
The IUPAC name of 5,6-dimethyldeca-2,4-diene (CID 91470784) is 5,6-dimethyldeca-2,4-diene.
What is the SMILES notation for 5,6-dimethyldeca-2,4-diene?
The canonical SMILES for 5,6-dimethyldeca-2,4-diene is CC=CC=C(C)C(C)CCCC.
What is the InChIKey of 5,6-dimethyldeca-2,4-diene?
The InChIKey is PZNJEERMKCHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-9-11(3)12(4)10-8-6-2/h5,7,9,12H,6,8,10H2,1-4H3.
What are the key properties of 5,6-dimethyldeca-2,4-diene?
5,6-dimethyldeca-2,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyldeca-2,4-diene is sourced from PubChem (CID 91470784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).