prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate

C16H26O5 — CID 66662818

IUPACprop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate
SMILESC=CCOCOC(=O)C(=C)CCOCCOC1CCCC1
InChIInChI=1S/C16H26O5/c1-3-9-19-13-21-16(17)14(2)8-10-18-11-12-20-15-6-4-5-7-15/h3,15H,1-2,4-13H2
InChIKeyMKNGRQVKZMJMMJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.61
Rot. Bonds12

About prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate

prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate (PubChem CID 66662818) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate
PubChem CID66662818
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Nameprop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate
SMILESC=CCOCOC(=O)C(=C)CCOCCOC1CCCC1
InChIInChI=1S/C16H26O5/c1-3-9-19-13-21-16(17)14(2)8-10-18-11-12-20-15-6-4-5-7-15/h3,15H,1-2,4-13H2
InChIKeyMKNGRQVKZMJMMJ-UHFFFAOYSA-N
XLogP2.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enoxymethyl 3-cyclopentyl-2-methylbut-2-enoate
CID 174057672
tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
CID 170141063
prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate
CID 87095016
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate
CID 155679811
3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
CID 139572007
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
5-cyclohexyloxy-2-methylidenepentanoic acid
CID 66778436
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
3-cyclopentyloxypropanoic acid
CID 24706641
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate?
The IUPAC name of prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate (CID 66662818) is prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate.
What is the SMILES notation for prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate?
The canonical SMILES for prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate is C=CCOCOC(=O)C(=C)CCOCCOC1CCCC1.
What is the InChIKey of prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate?
The InChIKey is MKNGRQVKZMJMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-3-9-19-13-21-16(17)14(2)8-10-18-11-12-20-15-6-4-5-7-15/h3,15H,1-2,4-13H2.
What are the key properties of prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate?
prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate has a molecular weight of 298.38 g/mol, XLogP of 2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate is sourced from PubChem (CID 66662818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).