2,3,4-trimethyldodec-2-ene

C15H30 — CID 156827842

IUPAC2,3,4-trimethyldodec-2-ene
SMILESCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C15H30/c1-6-7-8-9-10-11-12-14(4)15(5)13(2)3/h14H,6-12H2,1-5H3
InChIKeyUAQARNFYIVQPNH-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds8

About 2,3,4-trimethyldodec-2-ene

2,3,4-trimethyldodec-2-ene (PubChem CID 156827842) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2,3,4-trimethyldodec-2-ene.

Molecular Properties

Compound Name2,3,4-trimethyldodec-2-ene
PubChem CID156827842
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2,3,4-trimethyldodec-2-ene
SMILESCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C15H30/c1-6-7-8-9-10-11-12-14(4)15(5)13(2)3/h14H,6-12H2,1-5H3
InChIKeyUAQARNFYIVQPNH-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldodec-2-ene?
The IUPAC name of 2,3,4-trimethyldodec-2-ene (CID 156827842) is 2,3,4-trimethyldodec-2-ene.
What is the SMILES notation for 2,3,4-trimethyldodec-2-ene?
The canonical SMILES for 2,3,4-trimethyldodec-2-ene is CCCCCCCCC(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethyldodec-2-ene?
The InChIKey is UAQARNFYIVQPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-7-8-9-10-11-12-14(4)15(5)13(2)3/h14H,6-12H2,1-5H3.
What are the key properties of 2,3,4-trimethyldodec-2-ene?
2,3,4-trimethyldodec-2-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldodec-2-ene is sourced from PubChem (CID 156827842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).