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

C8H16 — CID 5357261

IUPAC(E)-2,2-dimethylhex-3-ene
SMILESCC/C=C/C(C)(C)C
InChIInChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyJPLZSSHKQZJYTJ-VOTSOKGWSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds1

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

(E)-2,2-dimethylhex-3-ene (PubChem CID 5357261) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,2-dimethylhex-3-ene
PubChem CID5357261
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-2,2-dimethylhex-3-ene
SMILESCC/C=C/C(C)(C)C
InChIInChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyJPLZSSHKQZJYTJ-VOTSOKGWSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
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)-2,2-dimethylhex-3-ene?
The IUPAC name of (E)-2,2-dimethylhex-3-ene (CID 5357261) is (E)-2,2-dimethylhex-3-ene.
What is the SMILES notation for (E)-2,2-dimethylhex-3-ene?
The canonical SMILES for (E)-2,2-dimethylhex-3-ene is CC/C=C/C(C)(C)C.
What is the InChIKey of (E)-2,2-dimethylhex-3-ene?
The InChIKey is JPLZSSHKQZJYTJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-2,2-dimethylhex-3-ene?
(E)-2,2-dimethylhex-3-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylhex-3-ene is sourced from PubChem (CID 5357261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).