3-tert-butyl-4,4-dimethylpent-2-ene

C11H22 — CID 13031507

IUPAC3-tert-butyl-4,4-dimethylpent-2-ene
SMILESCC=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22/c1-8-9(10(2,3)4)11(5,6)7/h8H,1-7H3
InChIKeyVBZHOILSMZDYSU-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds

About 3-tert-butyl-4,4-dimethylpent-2-ene

3-tert-butyl-4,4-dimethylpent-2-ene (PubChem CID 13031507) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-tert-butyl-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name3-tert-butyl-4,4-dimethylpent-2-ene
PubChem CID13031507
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-tert-butyl-4,4-dimethylpent-2-ene
SMILESCC=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H22/c1-8-9(10(2,3)4)11(5,6)7/h8H,1-7H3
InChIKeyVBZHOILSMZDYSU-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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-tert-butyl-4,4-dimethylpent-2-ene?
The IUPAC name of 3-tert-butyl-4,4-dimethylpent-2-ene (CID 13031507) is 3-tert-butyl-4,4-dimethylpent-2-ene.
What is the SMILES notation for 3-tert-butyl-4,4-dimethylpent-2-ene?
The canonical SMILES for 3-tert-butyl-4,4-dimethylpent-2-ene is CC=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4,4-dimethylpent-2-ene?
The InChIKey is VBZHOILSMZDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-8-9(10(2,3)4)11(5,6)7/h8H,1-7H3.
What are the key properties of 3-tert-butyl-4,4-dimethylpent-2-ene?
3-tert-butyl-4,4-dimethylpent-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,4-dimethylpent-2-ene is sourced from PubChem (CID 13031507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).