prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate

C14H22O3 — CID 174057672

IUPACprop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
SMILESC=CCOCOC(=O)C(C)=C(C)C1CCCC1
InChIInChI=1S/C14H22O3/c1-4-9-16-10-17-14(15)12(3)11(2)13-7-5-6-8-13/h4,13H,1,5-10H2,2-3H3
InChIKeyPOQUCLFKGDWAGM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.22
Rot. Bonds6

About prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate

prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate (PubChem CID 174057672) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
PubChem CID174057672
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameprop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
SMILESC=CCOCOC(=O)C(C)=C(C)C1CCCC1
InChIInChI=1S/C14H22O3/c1-4-9-16-10-17-14(15)12(3)11(2)13-7-5-6-8-13/h4,13H,1,5-10H2,2-3H3
InChIKeyPOQUCLFKGDWAGM-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate
CID 66662818
prop-2-enyl cyclododecanecarboxylate
CID 139624721
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
CID 118254217
prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
CID 174057728
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306
prop-2-enoxymethyl 6-methoxy-2-methylhept-2-enoate
CID 174057656
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
CID 174741411
1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
CID 119469700

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate?
The IUPAC name of prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate (CID 174057672) is prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate.
What is the SMILES notation for prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate?
The canonical SMILES for prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate is C=CCOCOC(=O)C(C)=C(C)C1CCCC1.
What is the InChIKey of prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate?
The InChIKey is POQUCLFKGDWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-9-16-10-17-14(15)12(3)11(2)13-7-5-6-8-13/h4,13H,1,5-10H2,2-3H3.
What are the key properties of prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate?
prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate is sourced from PubChem (CID 174057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).