(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene

C11H20S — CID 6442039

IUPAC(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene
SMILESCSC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKeyZXQUDAMFLBJUIK-FLIBITNWSA-N
MW184.35 g/mol
LogP4.04
Rot. Bonds5

About (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene

(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene (PubChem CID 6442039) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene
PubChem CID6442039
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene
SMILESCSC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKeyZXQUDAMFLBJUIK-FLIBITNWSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin
CID 534986
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin
CID 10912402
4,7-Dihydro-5-(4-methyl-3-penten-1-yl)-1,2,3-trithiepin
CID 131752315
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
CID 446838
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1-thiol
CID 445118
(E)-1-methylsulfanylhept-2-ene
CID 13215828
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425

Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene?
The IUPAC name of (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene (CID 6442039) is (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene.
What is the SMILES notation for (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene?
The canonical SMILES for (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene is CSC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene?
The InChIKey is ZXQUDAMFLBJUIK-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-.
What are the key properties of (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene?
(2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene has a molecular weight of 184.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-1-methylsulfanylocta-2,6-diene is sourced from PubChem (CID 6442039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).