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

C8H16 — CID 638067

IUPAC(E)-2,5-dimethylhex-3-ene
SMILESCC(C)/C=C/C(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+
InChIKeyKNCMKWVOMRUHKZ-AATRIKPKSA-N
MW112.22 g/mol
LogP2.85
Rot. Bonds2

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

(E)-2,5-dimethylhex-3-ene (PubChem CID 638067) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-3-ene
PubChem CID638067
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-2,5-dimethylhex-3-ene
SMILESCC(C)/C=C/C(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+
InChIKeyKNCMKWVOMRUHKZ-AATRIKPKSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 (E)-2,5-dimethylhex-3-ene?
The IUPAC name of (E)-2,5-dimethylhex-3-ene (CID 638067) is (E)-2,5-dimethylhex-3-ene.
What is the SMILES notation for (E)-2,5-dimethylhex-3-ene?
The canonical SMILES for (E)-2,5-dimethylhex-3-ene is CC(C)/C=C/C(C)C.
What is the InChIKey of (E)-2,5-dimethylhex-3-ene?
The InChIKey is KNCMKWVOMRUHKZ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+.
What are the key properties of (E)-2,5-dimethylhex-3-ene?
(E)-2,5-dimethylhex-3-ene has a molecular weight of 112.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-3-ene is sourced from PubChem (CID 638067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).