2,3,4-trimethyldeca-1,4-diene

C13H24 — CID 123573024

IUPAC2,3,4-trimethyldeca-1,4-diene
SMILESC=C(C)C(C)C(C)=CCCCCC
InChIInChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10,13H,2,6-9H2,1,3-5H3
InChIKeyXSBPUHCGWCQWBW-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds6

About 2,3,4-trimethyldeca-1,4-diene

2,3,4-trimethyldeca-1,4-diene (PubChem CID 123573024) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,3,4-trimethyldeca-1,4-diene.

Molecular Properties

Compound Name2,3,4-trimethyldeca-1,4-diene
PubChem CID123573024
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,3,4-trimethyldeca-1,4-diene
SMILESC=C(C)C(C)C(C)=CCCCCC
InChIInChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10,13H,2,6-9H2,1,3-5H3
InChIKeyXSBPUHCGWCQWBW-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
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

7,8-dimethyltridec-6-ene
CID 123214902
2,3,4-trimethyldec-4-ene
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2,4,5-trimethyldec-5-ene
CID 123184332
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
(3E)-3-methylnona-1,3-diene
CID 13382655
(4E)-2,3-dimethyldodeca-1,4-diene;ethane
CID 145000899
trimethyl-[(Z)-oct-2-en-2-yl]oxysilane
CID 11275679
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-oct-2-en-2-amine
CID 87259480
(E)-3-methylnon-3-ene
CID 5364647

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldeca-1,4-diene?
The IUPAC name of 2,3,4-trimethyldeca-1,4-diene (CID 123573024) is 2,3,4-trimethyldeca-1,4-diene.
What is the SMILES notation for 2,3,4-trimethyldeca-1,4-diene?
The canonical SMILES for 2,3,4-trimethyldeca-1,4-diene is C=C(C)C(C)C(C)=CCCCCC.
What is the InChIKey of 2,3,4-trimethyldeca-1,4-diene?
The InChIKey is XSBPUHCGWCQWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-8-9-10-12(4)13(5)11(2)3/h10,13H,2,6-9H2,1,3-5H3.
What are the key properties of 2,3,4-trimethyldeca-1,4-diene?
2,3,4-trimethyldeca-1,4-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldeca-1,4-diene is sourced from PubChem (CID 123573024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).