3,5-dimethylhex-1-ene

C8H16 — CID 522526

IUPAC3,5-dimethylhex-1-ene
SMILESC=CC(C)CC(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyFEZKAPRRVNNJTK-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.85
Rot. Bonds3

About 3,5-dimethylhex-1-ene

3,5-dimethylhex-1-ene (PubChem CID 522526) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 3,5-dimethylhex-1-ene.

Molecular Properties

Compound Name3,5-dimethylhex-1-ene
PubChem CID522526
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name3,5-dimethylhex-1-ene
SMILESC=CC(C)CC(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyFEZKAPRRVNNJTK-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.85
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 3,5-dimethylhex-1-ene?
The IUPAC name of 3,5-dimethylhex-1-ene (CID 522526) is 3,5-dimethylhex-1-ene.
What is the SMILES notation for 3,5-dimethylhex-1-ene?
The canonical SMILES for 3,5-dimethylhex-1-ene is C=CC(C)CC(C)C.
What is the InChIKey of 3,5-dimethylhex-1-ene?
The InChIKey is FEZKAPRRVNNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 3,5-dimethylhex-1-ene?
3,5-dimethylhex-1-ene has a molecular weight of 112.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhex-1-ene is sourced from PubChem (CID 522526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).