methyl 3-decylsulfonylprop-2-enoate

C14H26O4S — CID 508463

IUPACmethyl 3-decylsulfonylprop-2-enoate
SMILESCCCCCCCCCCS(=O)(=O)C=CC(=O)OC
InChIInChI=1S/C14H26O4S/c1-3-4-5-6-7-8-9-10-12-19(16,17)13-11-14(15)18-2/h11,13H,3-10,12H2,1-2H3
InChIKeyTVVMTTKQTQQEQB-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.23
Rot. Bonds11

About methyl 3-decylsulfonylprop-2-enoate

methyl 3-decylsulfonylprop-2-enoate (PubChem CID 508463) has the molecular formula C14H26O4S and a molecular weight of 290.42 g/mol. Its IUPAC name is methyl 3-decylsulfonylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-decylsulfonylprop-2-enoate
PubChem CID508463
Molecular FormulaC14H26O4S
Molecular Weight290.42 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-decylsulfonylprop-2-enoate
SMILESCCCCCCCCCCS(=O)(=O)C=CC(=O)OC
InChIInChI=1S/C14H26O4S/c1-3-4-5-6-7-8-9-10-12-19(16,17)13-11-14(15)18-2/h11,13H,3-10,12H2,1-2H3
InChIKeyTVVMTTKQTQQEQB-UHFFFAOYSA-N
XLogP3.23
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (E)-3-pentylsulfonylprop-2-enoate
CID 106435856
1-(4-pentylsulfonylbuta-1,3-dienylsulfonyl)pentane
CID 173411073
methyl (E)-4-hexyldec-2-enoate
CID 129015528
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
methyl (Z)-4-(hexylamino)-4-oxobut-2-enoate
CID 6442503
methyl (E)-hept-2-enoate
CID 5368087
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl (E,4R)-4-methyldec-2-enoate
CID 24746221
carbon monoxide;iron;methyl (E)-octadec-2-enoate
CID 11080605
(Z)-hexadec-9-enal;methyl (2E,11Z)-octadeca-2,11-dienoate
CID 157382791
(1Z,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286933
(1E,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 6254835

Frequently Asked Questions

What is the IUPAC name of methyl 3-decylsulfonylprop-2-enoate?
The IUPAC name of methyl 3-decylsulfonylprop-2-enoate (CID 508463) is methyl 3-decylsulfonylprop-2-enoate.
What is the SMILES notation for methyl 3-decylsulfonylprop-2-enoate?
The canonical SMILES for methyl 3-decylsulfonylprop-2-enoate is CCCCCCCCCCS(=O)(=O)C=CC(=O)OC.
What is the InChIKey of methyl 3-decylsulfonylprop-2-enoate?
The InChIKey is TVVMTTKQTQQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S/c1-3-4-5-6-7-8-9-10-12-19(16,17)13-11-14(15)18-2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of methyl 3-decylsulfonylprop-2-enoate?
methyl 3-decylsulfonylprop-2-enoate has a molecular weight of 290.42 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-decylsulfonylprop-2-enoate is sourced from PubChem (CID 508463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).