1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene

C8H14O4S — CID 87606113

IUPAC1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene
SMILESCOC=CCS(=O)(=O)CC=COC
InChIInChI=1S/C8H14O4S/c1-11-5-3-7-13(9,10)8-4-6-12-2/h3-6H,7-8H2,1-2H3
InChIKeyXVUJKLZIMVYEEF-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.72
Rot. Bonds6

About 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene

1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene (PubChem CID 87606113) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene
PubChem CID87606113
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene
SMILESCOC=CCS(=O)(=O)CC=COC
InChIInChI=1S/C8H14O4S/c1-11-5-3-7-13(9,10)8-4-6-12-2/h3-6H,7-8H2,1-2H3
InChIKeyXVUJKLZIMVYEEF-UHFFFAOYSA-N
XLogP0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene?
The IUPAC name of 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene (CID 87606113) is 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene?
The canonical SMILES for 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene is COC=CCS(=O)(=O)CC=COC.
What is the InChIKey of 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene?
The InChIKey is XVUJKLZIMVYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-11-5-3-7-13(9,10)8-4-6-12-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene?
1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene has a molecular weight of 206.26 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxyprop-2-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 87606113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).