2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene

C24H48 — CID 6433967

IUPAC2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene
SMILESC=C(C)CCC(C)C.CC(C)/C=C/C(C)C.CC(C)=CCC(C)C
InChIInChI=1S/3C8H16/c3*1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3;5-8H,1-4H3;8H,1,5-6H2,2-4H3/b;6-5+;
InChIKeyDJDLBMVKJOTHRT-AUNBPGBOSA-N
MW336.65 g/mol
LogP8.85
Rot. Bonds7

About 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene

2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene (PubChem CID 6433967) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene.

Molecular Properties

Compound Name2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene
PubChem CID6433967
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene
SMILESC=C(C)CCC(C)C.CC(C)/C=C/C(C)C.CC(C)=CCC(C)C
InChIInChI=1S/3C8H16/c3*1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3;5-8H,1-4H3;8H,1,5-6H2,2-4H3/b;6-5+;
InChIKeyDJDLBMVKJOTHRT-AUNBPGBOSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.85
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 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene?
The IUPAC name of 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene (CID 6433967) is 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene.
What is the SMILES notation for 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene?
The canonical SMILES for 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene is C=C(C)CCC(C)C.CC(C)/C=C/C(C)C.CC(C)=CCC(C)C.
What is the InChIKey of 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene?
The InChIKey is DJDLBMVKJOTHRT-AUNBPGBOSA-N. The full InChI is InChI=1S/3C8H16/c3*1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3;5-8H,1-4H3;8H,1,5-6H2,2-4H3/b;6-5+;.
What are the key properties of 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene?
2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene has a molecular weight of 336.65 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-1-ene;2,5-dimethylhex-2-ene;(E)-2,5-dimethylhex-3-ene is sourced from PubChem (CID 6433967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).