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

C8H14O4S — CID 90811533

IUPAC3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
SMILESC=CC(OC)S(=O)(=O)C(C=C)OC
InChIInChI=1S/C8H14O4S/c1-5-7(11-3)13(9,10)8(6-2)12-4/h5-8H,1-2H2,3-4H3
InChIKeyHDHAVBFEOCPSJY-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.72
Rot. Bonds6

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

3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene (PubChem CID 90811533) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
PubChem CID90811533
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
SMILESC=CC(OC)S(=O)(=O)C(C=C)OC
InChIInChI=1S/C8H14O4S/c1-5-7(11-3)13(9,10)8(6-2)12-4/h5-8H,1-2H2,3-4H3
InChIKeyHDHAVBFEOCPSJY-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxypenta-2,4-diene-1-sulfonic acid
CID 123324786
ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate
CID 87668512
[(1R)-1-methoxyprop-2-enyl]phosphane
CID 173465433
3-pent-1-en-3-ylsulfonylpent-1-ene
CID 87156214
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
CID 130367429
ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791
2-[1-[methoxy(methyl)phosphoryl]ethylsulfonyl]propane
CID 158746631
(2S,3R,4S)-2,3,4-trimethoxyhex-5-enal
CID 14374465
3-methoxy-3-nitroprop-1-ene
CID 90219141
lithium 1-fluoroprop-2-enyl sulfate
CID 175344175
3-methoxypent-4-en-2-amine
CID 90962870

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene?
The IUPAC name of 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene (CID 90811533) is 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene?
The canonical SMILES for 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene is C=CC(OC)S(=O)(=O)C(C=C)OC.
What is the InChIKey of 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene?
The InChIKey is HDHAVBFEOCPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-5-7(11-3)13(9,10)8(6-2)12-4/h5-8H,1-2H2,3-4H3.
What are the key properties of 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene?
3-methoxy-3-(1-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 3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 90811533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).