methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate

C11H15ClO2 — CID 94037507

IUPACmethyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(CCl)=C1C(=O)OC
InChIInChI=1S/C11H15ClO2/c1-7(2)9-5-4-8(6-12)10(9)11(13)14-3/h9H,1,4-6H2,2-3H3/t9-/m0/s1
InChIKeyPOQVWGLSTNEFES-VIFPVBQESA-N
MW214.69 g/mol
LogP2.68
Rot. Bonds3

About methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate

methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate (PubChem CID 94037507) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate
PubChem CID94037507
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Namemethyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(CCl)=C1C(=O)OC
InChIInChI=1S/C11H15ClO2/c1-7(2)9-5-4-8(6-12)10(9)11(13)14-3/h9H,1,4-6H2,2-3H3/t9-/m0/s1
InChIKeyPOQVWGLSTNEFES-VIFPVBQESA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate?
The IUPAC name of methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate (CID 94037507) is methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate is C=C(C)[C@@H]1CCC(CCl)=C1C(=O)OC.
What is the InChIKey of methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate?
The InChIKey is POQVWGLSTNEFES-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7(2)9-5-4-8(6-12)10(9)11(13)14-3/h9H,1,4-6H2,2-3H3/t9-/m0/s1.
What are the key properties of methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate?
methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate has a molecular weight of 214.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate is sourced from PubChem (CID 94037507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).