(5E)-4-tert-butyl-4-methylocta-1,5-diene

C13H24 — CID 22133460

IUPAC(5E)-4-tert-butyl-4-methylocta-1,5-diene
SMILESC=CCC(C)(/C=C/CC)C(C)(C)C
InChIInChI=1S/C13H24/c1-7-9-11-13(6,10-8-2)12(3,4)5/h8-9,11H,2,7,10H2,1,3-6H3/b11-9+
InChIKeyMVCPPHHAAZYYAT-PKNBQFBNSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds4

About (5E)-4-tert-butyl-4-methylocta-1,5-diene

(5E)-4-tert-butyl-4-methylocta-1,5-diene (PubChem CID 22133460) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (5E)-4-tert-butyl-4-methylocta-1,5-diene.

Molecular Properties

Compound Name(5E)-4-tert-butyl-4-methylocta-1,5-diene
PubChem CID22133460
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(5E)-4-tert-butyl-4-methylocta-1,5-diene
SMILESC=CCC(C)(/C=C/CC)C(C)(C)C
InChIInChI=1S/C13H24/c1-7-9-11-13(6,10-8-2)12(3,4)5/h8-9,11H,2,7,10H2,1,3-6H3/b11-9+
InChIKeyMVCPPHHAAZYYAT-PKNBQFBNSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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 (5E)-4-tert-butyl-4-methylocta-1,5-diene?
The IUPAC name of (5E)-4-tert-butyl-4-methylocta-1,5-diene (CID 22133460) is (5E)-4-tert-butyl-4-methylocta-1,5-diene.
What is the SMILES notation for (5E)-4-tert-butyl-4-methylocta-1,5-diene?
The canonical SMILES for (5E)-4-tert-butyl-4-methylocta-1,5-diene is C=CCC(C)(/C=C/CC)C(C)(C)C.
What is the InChIKey of (5E)-4-tert-butyl-4-methylocta-1,5-diene?
The InChIKey is MVCPPHHAAZYYAT-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24/c1-7-9-11-13(6,10-8-2)12(3,4)5/h8-9,11H,2,7,10H2,1,3-6H3/b11-9+.
What are the key properties of (5E)-4-tert-butyl-4-methylocta-1,5-diene?
(5E)-4-tert-butyl-4-methylocta-1,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-tert-butyl-4-methylocta-1,5-diene is sourced from PubChem (CID 22133460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).