(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene

C6H10OS — CID 178133797

IUPAC(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
SMILESC=C/C(=C\SC)OC
InChIInChI=1S/C6H10OS/c1-4-6(7-2)5-8-3/h4-5H,1H2,2-3H3/b6-5+
InChIKeyQZUNASLCWCMOPK-AATRIKPKSA-N
MW130.21 g/mol
LogP2.02
Rot. Bonds3

About (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene

(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene (PubChem CID 178133797) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene.

Molecular Properties

Compound Name(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
PubChem CID178133797
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
SMILESC=C/C(=C\SC)OC
InChIInChI=1S/C6H10OS/c1-4-6(7-2)5-8-3/h4-5H,1H2,2-3H3/b6-5+
InChIKeyQZUNASLCWCMOPK-AATRIKPKSA-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

(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
4-methoxyhexa-3,5-dien-2-one
CID 71435103
[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]hydrazine
CID 144767038
(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
CID 126727419
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
CID 178170806
(4Z)-4-(methylsulfanylmethylidene)hex-5-en-2-one
CID 142115180
[(2Z,4E)-5-methoxyhepta-2,4,6-trien-3-yl]boronic acid
CID 143927143
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
CID 12051225
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene?
The IUPAC name of (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene (CID 178133797) is (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene.
What is the SMILES notation for (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene?
The canonical SMILES for (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene is C=C/C(=C\SC)OC.
What is the InChIKey of (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene?
The InChIKey is QZUNASLCWCMOPK-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10OS/c1-4-6(7-2)5-8-3/h4-5H,1H2,2-3H3/b6-5+.
What are the key properties of (1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene?
(1E)-2-methoxy-1-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)-2-methoxy-1-methylsulfanylbuta-1,3-diene is sourced from PubChem (CID 178133797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).