2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane

C11H20O3S — CID 24978270

IUPAC2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane
SMILESCSCOC/C=C\COC1CCCCO1
InChIInChI=1S/C11H20O3S/c1-15-10-12-7-4-5-9-14-11-6-2-3-8-13-11/h4-5,11H,2-3,6-10H2,1H3/b5-4-
InChIKeyMNFOUGWIABHVGY-PLNGDYQASA-N
MW232.34 g/mol
LogP2.42
Rot. Bonds7

About 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane

2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane (PubChem CID 24978270) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane
PubChem CID24978270
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane
SMILESCSCOC/C=C\COC1CCCCO1
InChIInChI=1S/C11H20O3S/c1-15-10-12-7-4-5-9-14-11-6-2-3-8-13-11/h4-5,11H,2-3,6-10H2,1H3/b5-4-
InChIKeyMNFOUGWIABHVGY-PLNGDYQASA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
2-(5-Prop-2-enoxypentoxy)oxane
CID 10900391
2-[(Z)-2-methylbut-2-enoxy]oxane
CID 12623535
2-[(2E)-penta-2,4-dienoxy]-tetrahydro-pyran
CID 24977138
ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate
CID 134859271
tributyl-[(E)-4-(oxan-2-yloxy)but-2-enyl]stannane
CID 134888396
2H-Pyran, tetrahydro-2-[(3-methyl-2-butenyl)oxy]-
CID 10702299
2-But-2-enoxyoxane
CID 11744943
[(E)-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 14107629
2-Penta-2,4-dienoxyoxane
CID 54489675
2-(2-But-2-enoxyethoxy)oxane
CID 57125632

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane (CID 24978270) is 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane is CSCOC/C=C\COC1CCCCO1.
What is the InChIKey of 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane?
The InChIKey is MNFOUGWIABHVGY-PLNGDYQASA-N. The full InChI is InChI=1S/C11H20O3S/c1-15-10-12-7-4-5-9-14-11-6-2-3-8-13-11/h4-5,11H,2-3,6-10H2,1H3/b5-4-.
What are the key properties of 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane?
2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane has a molecular weight of 232.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]oxane is sourced from PubChem (CID 24978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).