(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene

C6H10OS — CID 102331103

IUPAC(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
SMILESCO/C=C/C=C\SC
InChIInChI=1S/C6H10OS/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4-
InChIKeyHHQIZVWCCBPPCD-UZNMPDEFSA-N
MW130.21 g/mol
LogP2.02
Rot. Bonds3

About (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene

(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene (PubChem CID 102331103) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
PubChem CID102331103
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
SMILESCO/C=C/C=C\SC
InChIInChI=1S/C6H10OS/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4-
InChIKeyHHQIZVWCCBPPCD-UZNMPDEFSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.02
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'}

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Related Compounds

(1Z)-1-ethoxy-2-fluoro-1-methylsulfanylbuta-1,3-diene
CID 166774750
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
(1E,3E)-4-dimethylsulfonio-1-methoxybuta-1,3-dien-1-olate
CID 164666722
2H-1,3-Oxathiepine
CID 23353069
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
1-[[(Z)-prop-1-enyl]sulfanylmethoxy]propane
CID 121330249
Ethenoxymethylidene-dimethyl-prop-2-enylidene-lambda6-sulfane
CID 123174150
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
(1E,3E)-1-methoxy-4-methylsulfanylpenta-1,3-diene
CID 124121497
ethane;4H-1,3-oxathiine
CID 142173991
(1Z)-1-methylsulfanyl-1-propan-2-yloxybuta-1,3-diene
CID 145688242

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene?
The IUPAC name of (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene (CID 102331103) is (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene is CO/C=C/C=C\SC.
What is the InChIKey of (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene?
The InChIKey is HHQIZVWCCBPPCD-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H10OS/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4-.
What are the key properties of (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene?
(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene has a molecular weight of 130.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene is sourced from PubChem (CID 102331103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).