ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate

C12H20O3 — CID 102207842

IUPACethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(CC)[C@](O)(CC)CC1
InChIInChI=1S/C12H20O3/c1-4-10-9(11(13)15-6-3)7-8-12(10,14)5-2/h14H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyUAFGTULDNCMXAX-LBPRGKRZSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds4

About ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate

ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate (PubChem CID 102207842) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate
PubChem CID102207842
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(CC)[C@](O)(CC)CC1
InChIInChI=1S/C12H20O3/c1-4-10-9(11(13)15-6-3)7-8-12(10,14)5-2/h14H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyUAFGTULDNCMXAX-LBPRGKRZSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate (CID 102207842) is ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate is CCOC(=O)C1=C(CC)[C@](O)(CC)CC1.
What is the InChIKey of ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate?
The InChIKey is UAFGTULDNCMXAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-10-9(11(13)15-6-3)7-8-12(10,14)5-2/h14H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate?
ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-2,3-diethyl-3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 102207842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).