4,5-dimethylhex-1-ene

C8H16 — CID 27683

IUPAC4,5-dimethylhex-1-ene
SMILESC=CCC(C)C(C)C
InChIInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyUFWIBUBEFUNVNI-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.85
Rot. Bonds3

About 4,5-dimethylhex-1-ene

4,5-dimethylhex-1-ene (PubChem CID 27683) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 4,5-dimethylhex-1-ene.

Molecular Properties

Compound Name4,5-dimethylhex-1-ene
PubChem CID27683
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name4,5-dimethylhex-1-ene
SMILESC=CCC(C)C(C)C
InChIInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyUFWIBUBEFUNVNI-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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Related Compounds

3,4-Dimethyl-1-hexene
CID 140134
6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
4-Ethyl-1-hexene
CID 123365
4-Methyl-1-hexene
CID 19589
5-Methyl-1-hexene
CID 77058
1-Hexene, 3,5,5-trimethyl-
CID 92984
3-Methyl-1-hexene
CID 18848
3-Ethyl-1-pentene
CID 19951
3,4,5-Trimethyl-1-hexene
CID 41976
3,4-Dimethyl-1-decene
CID 545635

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhex-1-ene?
The IUPAC name of 4,5-dimethylhex-1-ene (CID 27683) is 4,5-dimethylhex-1-ene.
What is the SMILES notation for 4,5-dimethylhex-1-ene?
The canonical SMILES for 4,5-dimethylhex-1-ene is C=CCC(C)C(C)C.
What is the InChIKey of 4,5-dimethylhex-1-ene?
The InChIKey is UFWIBUBEFUNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 4,5-dimethylhex-1-ene?
4,5-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 4,5-dimethylhex-1-ene is sourced from PubChem (CID 27683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).