(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene

C8H14OS — CID 89234195

IUPAC(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene
SMILESC=C/C=C(/CCOC)SC
InChIInChI=1S/C8H14OS/c1-4-5-8(10-3)6-7-9-2/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeySDUKYLCLVSHHEC-YVMONPNESA-N
MW158.27 g/mol
LogP2.46
Rot. Bonds5

About (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene

(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene (PubChem CID 89234195) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene
PubChem CID89234195
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene
SMILESC=C/C=C(/CCOC)SC
InChIInChI=1S/C8H14OS/c1-4-5-8(10-3)6-7-9-2/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeySDUKYLCLVSHHEC-YVMONPNESA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene?
The IUPAC name of (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene (CID 89234195) is (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene.
What is the SMILES notation for (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene?
The canonical SMILES for (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene is C=C/C=C(/CCOC)SC.
What is the InChIKey of (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene?
The InChIKey is SDUKYLCLVSHHEC-YVMONPNESA-N. The full InChI is InChI=1S/C8H14OS/c1-4-5-8(10-3)6-7-9-2/h4-5H,1,6-7H2,2-3H3/b8-5-.
What are the key properties of (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene?
(3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene has a molecular weight of 158.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methoxy-4-methylsulfanylhexa-1,3-diene is sourced from PubChem (CID 89234195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).