ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate

C10H16O3 — CID 11805414

IUPACethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)C(C)(O)C1
InChIInChI=1S/C10H16O3/c1-4-13-9(11)8-5-7(2)6-10(8,3)12/h8,12H,2,4-6H2,1,3H3
InChIKeyZFNXWUOXTIROOY-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds2

About ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate

ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate (PubChem CID 11805414) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate
PubChem CID11805414
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1CC(C(=O)OCC)C(C)(O)C1
InChIInChI=1S/C10H16O3/c1-4-13-9(11)8-5-7(2)6-10(8,3)12/h8,12H,2,4-6H2,1,3H3
InChIKeyZFNXWUOXTIROOY-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
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

Ethyl 2-(1-hydroxycyclopentyl)-3-butenoate
CID 10330364
ethyl (3aR,6aS)-6a-hydroxy-5-methylidene-2,3,4,6-tetrahydro-1H-pentalene-3a-carboxylate
CID 10932723
Ethyl 3-ethyl-3-hydroxy-5-methylhex-5-enoate
CID 71475967
Ethyl 3-hydroxy-3,5-dimethylhex-5-enoate
CID 71477999
Propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 85247477
cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 131856208
ethyl (3aR,8aS)-8a-hydroxy-2-methylidene-3,4,5,6,7,8-hexahydro-1H-azulene-3a-carboxylate
CID 134906609
ethyl 2-[(1S)-1-hydroxy-1-[(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]ethyl]pent-4-enoate
CID 135072835
Ethyl 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
Methyl 2-(1-hydroxycyclopentyl)but-3-enoate
CID 13348229
2-Hydroxy-1,2-dimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 13717331
2-(2-Methyloxolan-2-yl)pent-4-enoic acid
CID 70658478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate (CID 11805414) is ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate is C=C1CC(C(=O)OCC)C(C)(O)C1.
What is the InChIKey of ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The InChIKey is ZFNXWUOXTIROOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-13-9(11)8-5-7(2)6-10(8,3)12/h8,12H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate?
ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 11805414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).