tetradecyl 2-sulfanylprop-2-enoate

C17H32O2S — CID 150466846

IUPACtetradecyl 2-sulfanylprop-2-enoate
SMILESC=C(S)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)20/h20H,2-15H2,1H3
InChIKeyHQYUGTQMCDQAPT-UHFFFAOYSA-N
MW300.51 g/mol
LogP5.67
Rot. Bonds14

About tetradecyl 2-sulfanylprop-2-enoate

tetradecyl 2-sulfanylprop-2-enoate (PubChem CID 150466846) has the molecular formula C17H32O2S and a molecular weight of 300.51 g/mol. Its IUPAC name is tetradecyl 2-sulfanylprop-2-enoate.

Molecular Properties

Compound Nametetradecyl 2-sulfanylprop-2-enoate
PubChem CID150466846
Molecular FormulaC17H32O2S
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nametetradecyl 2-sulfanylprop-2-enoate
SMILESC=C(S)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)20/h20H,2-15H2,1H3
InChIKeyHQYUGTQMCDQAPT-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
ditridecyl oxalate
CID 18377796
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
dodecyl 2-trimethylsilylprop-2-enoate
CID 139634239
methane;nonyl 2-methylprop-2-enoate
CID 174847930
tetradecyl 2-chloroprop-2-enoate
CID 54118378
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-sulfanylprop-2-enoate?
The IUPAC name of tetradecyl 2-sulfanylprop-2-enoate (CID 150466846) is tetradecyl 2-sulfanylprop-2-enoate.
What is the SMILES notation for tetradecyl 2-sulfanylprop-2-enoate?
The canonical SMILES for tetradecyl 2-sulfanylprop-2-enoate is C=C(S)C(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-sulfanylprop-2-enoate?
The InChIKey is HQYUGTQMCDQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)20/h20H,2-15H2,1H3.
What are the key properties of tetradecyl 2-sulfanylprop-2-enoate?
tetradecyl 2-sulfanylprop-2-enoate has a molecular weight of 300.51 g/mol, XLogP of 5.67, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-sulfanylprop-2-enoate is sourced from PubChem (CID 150466846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).