(2E)-7-methyl-1-methylsulfanylocta-2,6-diene

C10H18S — CID 134893334

IUPAC(2E)-7-methyl-1-methylsulfanylocta-2,6-diene
SMILESCSC/C=C/CCC=C(C)C
InChIInChI=1S/C10H18S/c1-10(2)8-6-4-5-7-9-11-3/h5,7-8H,4,6,9H2,1-3H3/b7-5+
InChIKeyBWCNJZQAHUWEBE-FNORWQNLSA-N
MW170.32 g/mol
LogP3.65
Rot. Bonds5

About (2E)-7-methyl-1-methylsulfanylocta-2,6-diene

(2E)-7-methyl-1-methylsulfanylocta-2,6-diene (PubChem CID 134893334) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (2E)-7-methyl-1-methylsulfanylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-7-methyl-1-methylsulfanylocta-2,6-diene
PubChem CID134893334
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(2E)-7-methyl-1-methylsulfanylocta-2,6-diene
SMILESCSC/C=C/CCC=C(C)C
InChIInChI=1S/C10H18S/c1-10(2)8-6-4-5-7-9-11-3/h5,7-8H,4,6,9H2,1-3H3/b7-5+
InChIKeyBWCNJZQAHUWEBE-FNORWQNLSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Thiogeraniol
CID 6365572
3,7-Dimethylocta-2,6-diene-1-thiol
CID 61983
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
(Z)-3,7-Dimethylocta-2,6-diene-1-thiol
CID 6435868
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
CID 446838
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
CID 5477824
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienethial
CID 6481138
(E)-1-methylsulfanylhept-2-ene
CID 13215828
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901

Frequently Asked Questions

What is the IUPAC name of (2E)-7-methyl-1-methylsulfanylocta-2,6-diene?
The IUPAC name of (2E)-7-methyl-1-methylsulfanylocta-2,6-diene (CID 134893334) is (2E)-7-methyl-1-methylsulfanylocta-2,6-diene.
What is the SMILES notation for (2E)-7-methyl-1-methylsulfanylocta-2,6-diene?
The canonical SMILES for (2E)-7-methyl-1-methylsulfanylocta-2,6-diene is CSC/C=C/CCC=C(C)C.
What is the InChIKey of (2E)-7-methyl-1-methylsulfanylocta-2,6-diene?
The InChIKey is BWCNJZQAHUWEBE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18S/c1-10(2)8-6-4-5-7-9-11-3/h5,7-8H,4,6,9H2,1-3H3/b7-5+.
What are the key properties of (2E)-7-methyl-1-methylsulfanylocta-2,6-diene?
(2E)-7-methyl-1-methylsulfanylocta-2,6-diene has a molecular weight of 170.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-methyl-1-methylsulfanylocta-2,6-diene is sourced from PubChem (CID 134893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).