methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate

C11H15ClO4 — CID 11265116

IUPACmethyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate
SMILESCOC(=O)/C(=C/[C@H]1CCC(=O)O1)CCCCl
InChIInChI=1S/C11H15ClO4/c1-15-11(14)8(3-2-6-12)7-9-4-5-10(13)16-9/h7,9H,2-6H2,1H3/b8-7+/t9-/m1/s1
InChIKeyJDBQIVMHXJKLNB-FCZSHJHJSA-N
MW246.69 g/mol
LogP1.81
Rot. Bonds5

About methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate

methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate (PubChem CID 11265116) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate.

Molecular Properties

Compound Namemethyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate
PubChem CID11265116
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Namemethyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate
SMILESCOC(=O)/C(=C/[C@H]1CCC(=O)O1)CCCCl
InChIInChI=1S/C11H15ClO4/c1-15-11(14)8(3-2-6-12)7-9-4-5-10(13)16-9/h7,9H,2-6H2,1H3/b8-7+/t9-/m1/s1
InChIKeyJDBQIVMHXJKLNB-FCZSHJHJSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate with MolForge

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Related Compounds

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(3Z)-3-butylidene-5-methyloxolan-2-one
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(3Z)-5-methyl-3-propylideneoxolan-2-one
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methyl (2E)-5-chloro-2-ethylidenepentanoate
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methyl (2Z)-2-(5-methyl-2-oxooxolan-3-ylidene)acetate
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(3S,5S)-3-chloro-5-[(E)-pent-1-enyl]oxolan-2-one
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(3E)-3-butylidene-5-methyloxolan-2-one
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methyl (E)-2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoate
CID 57482875
Methyl 2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoate
CID 66773200
3-Butylidene-5-methyloxolan-2-one
CID 67912146

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate?
The IUPAC name of methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate (CID 11265116) is methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate.
What is the SMILES notation for methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate?
The canonical SMILES for methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate is COC(=O)/C(=C/[C@H]1CCC(=O)O1)CCCCl.
What is the InChIKey of methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate?
The InChIKey is JDBQIVMHXJKLNB-FCZSHJHJSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-15-11(14)8(3-2-6-12)7-9-4-5-10(13)16-9/h7,9H,2-6H2,1H3/b8-7+/t9-/m1/s1.
What are the key properties of methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate?
methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate has a molecular weight of 246.69 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate is sourced from PubChem (CID 11265116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).