(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene

C11H20OS — CID 155188283

IUPAC(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene
SMILESCOC/C=C\C(C)/C=C\CCSC
InChIInChI=1S/C11H20OS/c1-11(8-6-9-12-2)7-4-5-10-13-3/h4,6-8,11H,5,9-10H2,1-3H3/b7-4-,8-6-
InChIKeyOOMFHCMBHDZZAB-TXHKFLPISA-N
MW200.35 g/mol
LogP3.13
Rot. Bonds7

About (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene

(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene (PubChem CID 155188283) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene
PubChem CID155188283
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene
SMILESCOC/C=C\C(C)/C=C\CCSC
InChIInChI=1S/C11H20OS/c1-11(8-6-9-12-2)7-4-5-10-13-3/h4,6-8,11H,5,9-10H2,1-3H3/b7-4-,8-6-
InChIKeyOOMFHCMBHDZZAB-TXHKFLPISA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene?
The IUPAC name of (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene (CID 155188283) is (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene?
The canonical SMILES for (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene is COC/C=C\C(C)/C=C\CCSC.
What is the InChIKey of (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene?
The InChIKey is OOMFHCMBHDZZAB-TXHKFLPISA-N. The full InChI is InChI=1S/C11H20OS/c1-11(8-6-9-12-2)7-4-5-10-13-3/h4,6-8,11H,5,9-10H2,1-3H3/b7-4-,8-6-.
What are the key properties of (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene?
(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene has a molecular weight of 200.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene is sourced from PubChem (CID 155188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).