2,3,4-trimethyldec-2-ene

C13H26 — CID 19373804

IUPAC2,3,4-trimethyldec-2-ene
SMILESCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-9-10-12(4)13(5)11(2)3/h12H,6-10H2,1-5H3
InChIKeyHBQPCXCBYNWKAQ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds6

About 2,3,4-trimethyldec-2-ene

2,3,4-trimethyldec-2-ene (PubChem CID 19373804) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,3,4-trimethyldec-2-ene.

Molecular Properties

Compound Name2,3,4-trimethyldec-2-ene
PubChem CID19373804
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,3,4-trimethyldec-2-ene
SMILESCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-9-10-12(4)13(5)11(2)3/h12H,6-10H2,1-5H3
InChIKeyHBQPCXCBYNWKAQ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
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-trimethyldec-2-ene?
The IUPAC name of 2,3,4-trimethyldec-2-ene (CID 19373804) is 2,3,4-trimethyldec-2-ene.
What is the SMILES notation for 2,3,4-trimethyldec-2-ene?
The canonical SMILES for 2,3,4-trimethyldec-2-ene is CCCCCCC(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethyldec-2-ene?
The InChIKey is HBQPCXCBYNWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-7-8-9-10-12(4)13(5)11(2)3/h12H,6-10H2,1-5H3.
What are the key properties of 2,3,4-trimethyldec-2-ene?
2,3,4-trimethyldec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldec-2-ene is sourced from PubChem (CID 19373804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).