3-tert-butyl-2,3,5,5-tetramethylhex-1-ene

C14H28 — CID 12756030

IUPAC3-tert-butyl-2,3,5,5-tetramethylhex-1-ene
SMILESC=C(C)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-11(2)14(9,13(6,7)8)10-12(3,4)5/h1,10H2,2-9H3
InChIKeyJATXLJSAHIMUDX-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds2

About 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene

3-tert-butyl-2,3,5,5-tetramethylhex-1-ene (PubChem CID 12756030) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene.

Molecular Properties

Compound Name3-tert-butyl-2,3,5,5-tetramethylhex-1-ene
PubChem CID12756030
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3-tert-butyl-2,3,5,5-tetramethylhex-1-ene
SMILESC=C(C)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-11(2)14(9,13(6,7)8)10-12(3,4)5/h1,10H2,2-9H3
InChIKeyJATXLJSAHIMUDX-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.05
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-2,3,5,5-tetramethylhex-1-ene?
The IUPAC name of 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene (CID 12756030) is 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene.
What is the SMILES notation for 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene?
The canonical SMILES for 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene is C=C(C)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene?
The InChIKey is JATXLJSAHIMUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)14(9,13(6,7)8)10-12(3,4)5/h1,10H2,2-9H3.
What are the key properties of 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene?
3-tert-butyl-2,3,5,5-tetramethylhex-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3,5,5-tetramethylhex-1-ene is sourced from PubChem (CID 12756030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).