3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate

C10H20O2S — CID 126489334

IUPAC3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS(C)(C)C
InChIInChI=1S/C10H20O2S/c1-9(2)10(11)12-7-6-8-13(3,4)5/h1,6-8H2,2-5H3
InChIKeyYOIDUTPDJKGYPR-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.19
Rot. Bonds5

About 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate

3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate (PubChem CID 126489334) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
PubChem CID126489334
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCS(C)(C)C
InChIInChI=1S/C10H20O2S/c1-9(2)10(11)12-7-6-8-13(3,4)5/h1,6-8H2,2-5H3
InChIKeyYOIDUTPDJKGYPR-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
6-(2-methylprop-2-enoyloxy)hexane-1-sulfonate
CID 140800705
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
3-[3-(2-methylprop-2-enoyloxysulfonyl)propoxysulfonyl]propyl 2-methylprop-2-enoate
CID 174759874
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate (CID 126489334) is 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCS(C)(C)C.
What is the InChIKey of 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate?
The InChIKey is YOIDUTPDJKGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-9(2)10(11)12-7-6-8-13(3,4)5/h1,6-8H2,2-5H3.
What are the key properties of 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate?
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate has a molecular weight of 204.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 126489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).