(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene

C9H14S — CID 126714588

IUPAC(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
SMILESC/C=C\C=C(/C=C\C)SC
InChIInChI=1S/C9H14S/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyQVBDVPJVDPUBDJ-VHIIXJFGSA-N
MW154.28 g/mol
LogP3.39
Rot. Bonds3

About (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene

(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene (PubChem CID 126714588) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
PubChem CID126714588
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
SMILESC/C=C\C=C(/C=C\C)SC
InChIInChI=1S/C9H14S/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyQVBDVPJVDPUBDJ-VHIIXJFGSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2Z,6E,8E,10E)-4,8-bis[(Z)-prop-1-enyl]dodeca-2,4,6,8,10-pentaene
CID 145128728
[(3E,5Z)-hepta-1,3,5-trien-3-yl] thiohypochlorite
CID 143926212
2-methylhepta-1,3,5-triene
CID 54571604
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
CID 89217494
chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane
CID 130183377

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene (CID 126714588) is (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene is C/C=C\C=C(/C=C\C)SC.
What is the InChIKey of (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene?
The InChIKey is QVBDVPJVDPUBDJ-VHIIXJFGSA-N. The full InChI is InChI=1S/C9H14S/c1-4-6-8-9(10-3)7-5-2/h4-8H,1-3H3/b6-4-,7-5-,9-8+.
What are the key properties of (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene?
(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene has a molecular weight of 154.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene is sourced from PubChem (CID 126714588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).