3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene

C15H30 — CID 13179780

IUPAC3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene
SMILESCC(=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30/c1-11(13(2,3)4)12(14(5,6)7)15(8,9)10/h1-10H3
InChIKeyBEHOXZDVJJHTPY-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.44
Rot. Bonds

About 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene

3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene (PubChem CID 13179780) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene.

Molecular Properties

Compound Name3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene
PubChem CID13179780
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene
SMILESCC(=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30/c1-11(13(2,3)4)12(14(5,6)7)15(8,9)10/h1-10H3
InChIKeyBEHOXZDVJJHTPY-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.44
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-2,2,4,5,5-pentamethylhex-3-ene?
The IUPAC name of 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene (CID 13179780) is 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene.
What is the SMILES notation for 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene?
The canonical SMILES for 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene is CC(=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene?
The InChIKey is BEHOXZDVJJHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-11(13(2,3)4)12(14(5,6)7)15(8,9)10/h1-10H3.
What are the key properties of 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene?
3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene has a molecular weight of 210.40 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,4,5,5-pentamethylhex-3-ene is sourced from PubChem (CID 13179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).