methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate

C13H20O3 — CID 70504410

IUPACmethyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCC(CCO)(C(=O)OC)C1=C
InChIInChI=1S/C13H20O3/c1-9(2)11-5-6-13(7-8-14,10(11)3)12(15)16-4/h11,14H,1,3,5-8H2,2,4H3
InChIKeyGPNRYHRHFSBQLX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds4

About methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 70504410) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID70504410
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCC(CCO)(C(=O)OC)C1=C
InChIInChI=1S/C13H20O3/c1-9(2)11-5-6-13(7-8-14,10(11)3)12(15)16-4/h11,14H,1,3,5-8H2,2,4H3
InChIKeyGPNRYHRHFSBQLX-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 70504410) is methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)C1CCC(CCO)(C(=O)OC)C1=C.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is GPNRYHRHFSBQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)11-5-6-13(7-8-14,10(11)3)12(15)16-4/h11,14H,1,3,5-8H2,2,4H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-2-methylidene-3-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 70504410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).