prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate

C11H18O4 — CID 174057728

IUPACprop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
SMILESC=CCOCOC(=O)C(C)=CCCOC
InChIInChI=1S/C11H18O4/c1-4-7-14-9-15-11(12)10(2)6-5-8-13-3/h4,6H,1,5,7-9H2,2-3H3
InChIKeyRQMFOXHSBFYAJA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds8

About prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate

prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate (PubChem CID 174057728) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
PubChem CID174057728
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameprop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
SMILESC=CCOCOC(=O)C(C)=CCCOC
InChIInChI=1S/C11H18O4/c1-4-7-14-9-15-11(12)10(2)6-5-8-13-3/h4,6H,1,5,7-9H2,2-3H3
InChIKeyRQMFOXHSBFYAJA-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-methoxy-2-methylhept-2-enoate
CID 174057656
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
methyl 2-methylhepta-2,6-dienoate
CID 54478570
prop-2-enyl 6-hydroxy-2-methylhept-2-enoate
CID 173239846
methyl 2-methyl-4-pent-4-enoxybut-2-enoate
CID 79114847
2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
CID 118254217
prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
CID 174057672
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
acetic acid;ethenyl 5-ethoxy-2-methylpent-2-enoate
CID 174587299
2,4-dimethylpent-1-en-3-one;4-methoxybut-1-ene
CID 157278804
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate?
The IUPAC name of prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate (CID 174057728) is prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate.
What is the SMILES notation for prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate?
The canonical SMILES for prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate is C=CCOCOC(=O)C(C)=CCCOC.
What is the InChIKey of prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate?
The InChIKey is RQMFOXHSBFYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-7-14-9-15-11(12)10(2)6-5-8-13-3/h4,6H,1,5,7-9H2,2-3H3.
What are the key properties of prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate?
prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate is sourced from PubChem (CID 174057728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).