ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate

C11H18O2S — CID 46906509

IUPACethyl (Z)-3-cyclohexylsulfanylprop-2-enoate
SMILESCCOC(=O)/C=C\SC1CCCCC1
InChIInChI=1S/C11H18O2S/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8-
InChIKeyILVSVODQKDROGX-HJWRWDBZSA-N
MW214.33 g/mol
LogP3.13
Rot. Bonds4

About ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate

ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate (PubChem CID 46906509) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-cyclohexylsulfanylprop-2-enoate
PubChem CID46906509
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Nameethyl (Z)-3-cyclohexylsulfanylprop-2-enoate
SMILESCCOC(=O)/C=C\SC1CCCCC1
InChIInChI=1S/C11H18O2S/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8-
InChIKeyILVSVODQKDROGX-HJWRWDBZSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-oxoazetidin-2-yl)sulfanylprop-2-enoate
CID 20568744
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
N,N'-bis(2-methylcyclohexyl)methanediamine;diethyl (Z)-but-2-enedioate
CID 160878608
ethyl (E)-4-cyclopentyloxybut-2-enoate
CID 80545801
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl (E,4S,5R)-4-bromo-5-cyclohexyl-5-hydroxypent-2-enoate
CID 102070633
ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895
ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586
ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
CID 138979949
ethyl (E)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]prop-2-enoate
CID 12020426
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate (CID 46906509) is ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate is CCOC(=O)/C=C\SC1CCCCC1.
What is the InChIKey of ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate?
The InChIKey is ILVSVODQKDROGX-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O2S/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3/b9-8-.
What are the key properties of ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate?
ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate has a molecular weight of 214.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-cyclohexylsulfanylprop-2-enoate is sourced from PubChem (CID 46906509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).