(6Z)-5-tert-butylocta-1,3,6-triene

C12H20 — CID 144842160

IUPAC(6Z)-5-tert-butylocta-1,3,6-triene
SMILESC=CC=CC(/C=C\C)C(C)(C)C
InChIInChI=1S/C12H20/c1-6-8-10-11(9-7-2)12(3,4)5/h6-11H,1H2,2-5H3/b9-7-,10-8?
InChIKeyKRUJWGKPDIAZEX-FWMMZFIKSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds3

About (6Z)-5-tert-butylocta-1,3,6-triene

(6Z)-5-tert-butylocta-1,3,6-triene (PubChem CID 144842160) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (6Z)-5-tert-butylocta-1,3,6-triene.

Molecular Properties

Compound Name(6Z)-5-tert-butylocta-1,3,6-triene
PubChem CID144842160
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(6Z)-5-tert-butylocta-1,3,6-triene
SMILESC=CC=CC(/C=C\C)C(C)(C)C
InChIInChI=1S/C12H20/c1-6-8-10-11(9-7-2)12(3,4)5/h6-11H,1H2,2-5H3/b9-7-,10-8?
InChIKeyKRUJWGKPDIAZEX-FWMMZFIKSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,6E,8E)-5-methyldeca-1,3,6,8-tetraene
CID 132576789
3-tert-butylpenta-1,4-diene
CID 12556609
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
CID 118181315
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747

Frequently Asked Questions

What is the IUPAC name of (6Z)-5-tert-butylocta-1,3,6-triene?
The IUPAC name of (6Z)-5-tert-butylocta-1,3,6-triene (CID 144842160) is (6Z)-5-tert-butylocta-1,3,6-triene.
What is the SMILES notation for (6Z)-5-tert-butylocta-1,3,6-triene?
The canonical SMILES for (6Z)-5-tert-butylocta-1,3,6-triene is C=CC=CC(/C=C\C)C(C)(C)C.
What is the InChIKey of (6Z)-5-tert-butylocta-1,3,6-triene?
The InChIKey is KRUJWGKPDIAZEX-FWMMZFIKSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-10-11(9-7-2)12(3,4)5/h6-11H,1H2,2-5H3/b9-7-,10-8?.
What are the key properties of (6Z)-5-tert-butylocta-1,3,6-triene?
(6Z)-5-tert-butylocta-1,3,6-triene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-tert-butylocta-1,3,6-triene is sourced from PubChem (CID 144842160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).