2,4,5-trimethylhex-2-ene

C9H18 — CID 18362397

IUPAC2,4,5-trimethylhex-2-ene
SMILESCC(C)=CC(C)C(C)C
InChIInChI=1S/C9H18/c1-7(2)6-9(5)8(3)4/h6,8-9H,1-5H3
InChIKeyWKDMFBIEIOFXIM-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.24
Rot. Bonds2

About 2,4,5-trimethylhex-2-ene

2,4,5-trimethylhex-2-ene (PubChem CID 18362397) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2,4,5-trimethylhex-2-ene.

Molecular Properties

Compound Name2,4,5-trimethylhex-2-ene
PubChem CID18362397
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2,4,5-trimethylhex-2-ene
SMILESCC(C)=CC(C)C(C)C
InChIInChI=1S/C9H18/c1-7(2)6-9(5)8(3)4/h6,8-9H,1-5H3
InChIKeyWKDMFBIEIOFXIM-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylhex-2-ene?
The IUPAC name of 2,4,5-trimethylhex-2-ene (CID 18362397) is 2,4,5-trimethylhex-2-ene.
What is the SMILES notation for 2,4,5-trimethylhex-2-ene?
The canonical SMILES for 2,4,5-trimethylhex-2-ene is CC(C)=CC(C)C(C)C.
What is the InChIKey of 2,4,5-trimethylhex-2-ene?
The InChIKey is WKDMFBIEIOFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-7(2)6-9(5)8(3)4/h6,8-9H,1-5H3.
What are the key properties of 2,4,5-trimethylhex-2-ene?
2,4,5-trimethylhex-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylhex-2-ene is sourced from PubChem (CID 18362397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).