propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate

C12H20O3 — CID 85247477

IUPACpropan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCCC1(O)C(=O)OC(C)C
InChIInChI=1S/C12H20O3/c1-8(2)10-6-5-7-12(10,14)11(13)15-9(3)4/h9-10,14H,1,5-7H2,2-4H3
InChIKeyOLMXCSANKLDUOX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds3

About propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate

propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 85247477) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID85247477
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namepropan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCCC1(O)C(=O)OC(C)C
InChIInChI=1S/C12H20O3/c1-8(2)10-6-5-7-12(10,14)11(13)15-9(3)4/h9-10,14H,1,5-7H2,2-4H3
InChIKeyOLMXCSANKLDUOX-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
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

propan-2-yl (1R,2R,4R)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 10517472
cis-propan-2-yl (1S,2S)-1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 102250134
cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
CID 45098862
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 131856211
propan-2-yl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134966619
1-(1,2-dicarbonochloridoylcyclohexyl)ethyl 2-methylprop-2-enoate
CID 87186758
trans-ethyl (1S,2R)-1-methyl-2-prop-1-en-2-ylcyclobutane-1-carboxylate
CID 102361775
1-methyl-2-prop-1-en-2-ylcyclopentane-1-sulfonic acid
CID 174492180
dipropan-2-yl spiro[3.3]heptane-2,2-dicarboxylate
CID 90403911
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
methyl 2-(2-methylprop-2-enoyloxy)-2-propan-2-ylcyclohexane-1-carboxylate
CID 135226801

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 85247477) is propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)C1CCCC1(O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is OLMXCSANKLDUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(2)10-6-5-7-12(10,14)11(13)15-9(3)4/h9-10,14H,1,5-7H2,2-4H3.
What are the key properties of propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 85247477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).