(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene

C12H20 — CID 142379539

IUPAC(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
SMILESC/C=C/C=C(\C=C(C)C)CCC
InChIInChI=1S/C12H20/c1-5-7-9-12(8-6-2)10-11(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+,12-9-
InChIKeyNEHMDBYDQFAZFB-RTFKAXJXSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds4

About (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene

(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene (PubChem CID 142379539) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
PubChem CID142379539
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
SMILESC/C=C/C=C(\C=C(C)C)CCC
InChIInChI=1S/C12H20/c1-5-7-9-12(8-6-2)10-11(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+,12-9-
InChIKeyNEHMDBYDQFAZFB-RTFKAXJXSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
2-propylhexa-2,4-dieneperoxoic acid
CID 173280763
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(5E,7Z)-5-methyl-4-propylnona-5,7-dien-4-ol
CID 143524444
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[(4Z,6E)-6-methyl-4-(2-methylprop-1-enyl)octa-1,4,6-trien-2-yl]benzene
CID 143032355
(2Z,4E)-5-[2-(5-pentoxypentoxy)ethoxymethyl]octa-2,4-diene
CID 146358244
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
CID 143177152
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene?
The IUPAC name of (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene (CID 142379539) is (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene.
What is the SMILES notation for (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene?
The canonical SMILES for (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene is C/C=C/C=C(\C=C(C)C)CCC.
What is the InChIKey of (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene?
The InChIKey is NEHMDBYDQFAZFB-RTFKAXJXSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-9-12(8-6-2)10-11(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+,12-9-.
What are the key properties of (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene?
(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-2-methyl-4-propylocta-2,4,6-triene is sourced from PubChem (CID 142379539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).