ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate

C10H18O3S — CID 65211588

IUPACethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCC1(O)CCCC1
InChIInChI=1S/C10H18O3S/c1-2-13-9(11)7-14-8-10(12)5-3-4-6-10/h12H,2-8H2,1H3
InChIKeyAKYMANMRUFKIAG-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate

ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate (PubChem CID 65211588) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
PubChem CID65211588
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Nameethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCC1(O)CCCC1
InChIInChI=1S/C10H18O3S/c1-2-13-9(11)7-14-8-10(12)5-3-4-6-10/h12H,2-8H2,1H3
InChIKeyAKYMANMRUFKIAG-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(trifluoromethyl)cyclopropyl]methylsulfanyl]acetate
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ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
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ethyl 3-(1-hydroxycyclobutyl)propanoate
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1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
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ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
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CID 11030166
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
ethyl 2-(2-amino-2-cyclopentylethyl)sulfanylacetate
CID 104755112
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
ethyl 2-[1-(2-ethoxy-2-oxoethyl)sulfanylcyclopropyl]acetate
CID 176866632
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate (CID 65211588) is ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate is CCOC(=O)CSCC1(O)CCCC1.
What is the InChIKey of ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate?
The InChIKey is AKYMANMRUFKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-13-9(11)7-14-8-10(12)5-3-4-6-10/h12H,2-8H2,1H3.
What are the key properties of ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate?
ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate has a molecular weight of 218.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxycyclopentyl)methylsulfanyl]acetate is sourced from PubChem (CID 65211588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).