[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate

C10H16O4 — CID 11745661

IUPAC[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C10H16O4/c1-13-7-10(12)14-6-9-3-2-8(4-9)5-11/h2-3,8-9,11H,4-7H2,1H3/t8-,9+/m1/s1
InChIKeyMCWGLEVAMWYTOS-BDAKNGLRSA-N
MW200.23 g/mol
LogP0.36
Rot. Bonds5

About [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate

[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate (PubChem CID 11745661) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate.

Molecular Properties

Compound Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate
PubChem CID11745661
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C10H16O4/c1-13-7-10(12)14-6-9-3-2-8(4-9)5-11/h2-3,8-9,11H,4-7H2,1H3/t8-,9+/m1/s1
InChIKeyMCWGLEVAMWYTOS-BDAKNGLRSA-N
XLogP0.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10877544
cyclopentylmethyl 2-methoxyacetate;molecular hydrogen
CID 161365389
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
4-(methoxymethyl)cyclopent-2-en-1-amine
CID 130330774
CID 172843337
CID 172843337
bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
CID 159585552
4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
CID 130142481
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate
CID 10867271

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate?
The IUPAC name of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate (CID 11745661) is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate.
What is the SMILES notation for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate?
The canonical SMILES for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate is COCC(=O)OC[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate?
The InChIKey is MCWGLEVAMWYTOS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-7-10(12)14-6-9-3-2-8(4-9)5-11/h2-3,8-9,11H,4-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate?
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate has a molecular weight of 200.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl 2-methoxyacetate is sourced from PubChem (CID 11745661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).