ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate

C10H16O3 — CID 10954210

IUPACethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate
SMILESC=C[C@H]1C[C@@H](O)C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1
InChIKeyTXDQPTCDNKLXGD-DJLDLDEBSA-N
MW184.23 g/mol
LogP1.12
Rot. Bonds3

About ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate

ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate (PubChem CID 10954210) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate
PubChem CID10954210
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate
SMILESC=C[C@H]1C[C@@H](O)C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1
InChIKeyTXDQPTCDNKLXGD-DJLDLDEBSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cucurbic acid
CID 6123064
(+)-Cucurbic acid
CID 5281159
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
CID 441565
7-Iso-cucurbic acid
CID 14262447
2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 14262445
2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
CID 86310507
2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 92975784
(1R,2R,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadec-11-en-5-one
CID 448298

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate (CID 10954210) is ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate is C=C[C@H]1C[C@@H](O)C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is TXDQPTCDNKLXGD-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8+,9+/m0/s1.
What are the key properties of ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate?
ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,4R)-2-ethenyl-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 10954210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).