1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate

C10H14O5S2 — CID 174766355

IUPAC1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)SOSC(C)OC(=O)C=C
InChIInChI=1S/C10H14O5S2/c1-5-9(11)13-7(3)16-15-17-8(4)14-10(12)6-2/h5-8H,1-2H2,3-4H3
InChIKeyLNAYMHJLWPICJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.45
Rot. Bonds8

About 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate

1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate (PubChem CID 174766355) has the molecular formula C10H14O5S2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate
PubChem CID174766355
Molecular FormulaC10H14O5S2
Molecular Weight278.35 g/mol
Exact Mass278.03
IUPAC Name1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)SOSC(C)OC(=O)C=C
InChIInChI=1S/C10H14O5S2/c1-5-9(11)13-7(3)16-15-17-8(4)14-10(12)6-2/h5-8H,1-2H2,3-4H3
InChIKeyLNAYMHJLWPICJG-UHFFFAOYSA-N
XLogP2.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1-prop-2-enoyloxyethylsulfanyl)butylsulfanyl]ethyl prop-2-enoate
CID 23044367
1-butan-2-ylsulfanylethyl prop-2-enoate
CID 146302842
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
CID 172734708
CID 172734708

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate?
The IUPAC name of 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate (CID 174766355) is 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate?
The canonical SMILES for 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate is C=CC(=O)OC(C)SOSC(C)OC(=O)C=C.
What is the InChIKey of 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate?
The InChIKey is LNAYMHJLWPICJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S2/c1-5-9(11)13-7(3)16-15-17-8(4)14-10(12)6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate?
1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate is sourced from PubChem (CID 174766355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).