(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene

C17H32OS — CID 15530592

IUPAC(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene
SMILESCCCCC(/C=C(SC)/C(=C/CC(C)C)OC)CC
InChIInChI=1S/C17H32OS/c1-7-9-10-15(8-2)13-17(19-6)16(18-5)12-11-14(3)4/h12-15H,7-11H2,1-6H3/b16-12-,17-13-
InChIKeyCXNUMSQPSQKPQU-MCOFMCJXSA-N
MW284.51 g/mol
LogP6.03
Rot. Bonds10

About (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene

(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene (PubChem CID 15530592) has the molecular formula C17H32OS and a molecular weight of 284.51 g/mol. Its IUPAC name is (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene
PubChem CID15530592
Molecular FormulaC17H32OS
Molecular Weight284.51 g/mol
Exact Mass284.22
IUPAC Name(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene
SMILESCCCCC(/C=C(SC)/C(=C/CC(C)C)OC)CC
InChIInChI=1S/C17H32OS/c1-7-9-10-15(8-2)13-17(19-6)16(18-5)12-11-14(3)4/h12-15H,7-11H2,1-6H3/b16-12-,17-13-
InChIKeyCXNUMSQPSQKPQU-MCOFMCJXSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4R)-2-[(1Z,3Z)-2-methoxy-3-methylsulfanylundeca-1,3-dienyl]-4-methyl-1-propan-2-ylcyclohexane
CID 134920723
[(1Z,3Z)-3-methylsulfanyl-2-prop-2-enoxyundeca-1,3-dienyl]cyclohexane
CID 134920902
[(1Z,3Z)-2-ethoxy-3-methylsulfanylundeca-1,3-dienyl]cyclohexane
CID 134922159
[(3Z,5Z)-7-ethyl-5-methylsulfanylundeca-3,5-dien-4-yl]oxycyclohexane
CID 15530595

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene?
The IUPAC name of (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene (CID 15530592) is (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene.
What is the SMILES notation for (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene?
The canonical SMILES for (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene is CCCCC(/C=C(SC)/C(=C/CC(C)C)OC)CC.
What is the InChIKey of (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene?
The InChIKey is CXNUMSQPSQKPQU-MCOFMCJXSA-N. The full InChI is InChI=1S/C17H32OS/c1-7-9-10-15(8-2)13-17(19-6)16(18-5)12-11-14(3)4/h12-15H,7-11H2,1-6H3/b16-12-,17-13-.
What are the key properties of (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene?
(4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene has a molecular weight of 284.51 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-ethyl-5-methoxy-2-methyl-6-methylsulfanyldodeca-4,6-diene is sourced from PubChem (CID 15530592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).