10-thiocyanatodecyl prop-2-enoate

C14H23NO2S — CID 15153835

IUPAC10-thiocyanatodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCSC#N
InChIInChI=1S/C14H23NO2S/c1-2-14(16)17-11-9-7-5-3-4-6-8-10-12-18-13-15/h2H,1,3-12H2
InChIKeyHBEBKESKSXAVTP-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.05
Rot. Bonds12

About 10-thiocyanatodecyl prop-2-enoate

10-thiocyanatodecyl prop-2-enoate (PubChem CID 15153835) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 10-thiocyanatodecyl prop-2-enoate.

Molecular Properties

Compound Name10-thiocyanatodecyl prop-2-enoate
PubChem CID15153835
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name10-thiocyanatodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCSC#N
InChIInChI=1S/C14H23NO2S/c1-2-14(16)17-11-9-7-5-3-4-6-8-10-12-18-13-15/h2H,1,3-12H2
InChIKeyHBEBKESKSXAVTP-UHFFFAOYSA-N
XLogP4.05
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
9-thiocyanatononyl acetate
CID 129069422
decyl prop-2-enoate;prop-2-enenitrile
CID 18458407
5-thiocyanatopentyl 2-methylprop-2-enoate
CID 15153832
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
3-cyanatopropyl prop-2-enoate
CID 54399248
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of 10-thiocyanatodecyl prop-2-enoate?
The IUPAC name of 10-thiocyanatodecyl prop-2-enoate (CID 15153835) is 10-thiocyanatodecyl prop-2-enoate.
What is the SMILES notation for 10-thiocyanatodecyl prop-2-enoate?
The canonical SMILES for 10-thiocyanatodecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCSC#N.
What is the InChIKey of 10-thiocyanatodecyl prop-2-enoate?
The InChIKey is HBEBKESKSXAVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-2-14(16)17-11-9-7-5-3-4-6-8-10-12-18-13-15/h2H,1,3-12H2.
What are the key properties of 10-thiocyanatodecyl prop-2-enoate?
10-thiocyanatodecyl prop-2-enoate has a molecular weight of 269.41 g/mol, XLogP of 4.05, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiocyanatodecyl prop-2-enoate is sourced from PubChem (CID 15153835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).