(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene

C10H16O2S — CID 173385385

IUPAC(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene
SMILESCC=C(C)/C(=C\C=C/C)S(C)(=O)=O
InChIInChI=1S/C10H16O2S/c1-5-7-8-10(9(3)6-2)13(4,11)12/h5-8H,1-4H3/b7-5-,9-6?,10-8+
InChIKeyKMVNZFNRXWDCTA-CTFOTCHTSA-N
MW200.30 g/mol
LogP2.46
Rot. Bonds3

About (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene

(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene (PubChem CID 173385385) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene
PubChem CID173385385
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene
SMILESCC=C(C)/C(=C\C=C/C)S(C)(=O)=O
InChIInChI=1S/C10H16O2S/c1-5-7-8-10(9(3)6-2)13(4,11)12/h5-8H,1-4H3/b7-5-,9-6?,10-8+
InChIKeyKMVNZFNRXWDCTA-CTFOTCHTSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide
CID 142175169
(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
CID 143088479
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
(3E,5Z)-hepta-1,3,5-triene-3-sulfonic acid
CID 142823719
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene?
The IUPAC name of (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene (CID 173385385) is (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene.
What is the SMILES notation for (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene?
The canonical SMILES for (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene is CC=C(C)/C(=C\C=C/C)S(C)(=O)=O.
What is the InChIKey of (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene?
The InChIKey is KMVNZFNRXWDCTA-CTFOTCHTSA-N. The full InChI is InChI=1S/C10H16O2S/c1-5-7-8-10(9(3)6-2)13(4,11)12/h5-8H,1-4H3/b7-5-,9-6?,10-8+.
What are the key properties of (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene?
(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene has a molecular weight of 200.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene is sourced from PubChem (CID 173385385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).