[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate

C21H30O6 — CID 163443965

IUPAC[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate
SMILESC=CC(=O)OC1C(=O)C2(CCCCC2)C(=O)C1OC(C)OC1CCCCC1
InChIInChI=1S/C21H30O6/c1-3-16(22)27-18-17(26-14(2)25-15-10-6-4-7-11-15)19(23)21(20(18)24)12-8-5-9-13-21/h3,14-15,17-18H,1,4-13H2,2H3
InChIKeyBAXRRIXBMXIOSM-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.27
Rot. Bonds6

About [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate

[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate (PubChem CID 163443965) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol. Its IUPAC name is [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate
PubChem CID163443965
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate
SMILESC=CC(=O)OC1C(=O)C2(CCCCC2)C(=O)C1OC(C)OC1CCCCC1
InChIInChI=1S/C21H30O6/c1-3-16(22)27-18-17(26-14(2)25-15-10-6-4-7-11-15)19(23)21(20(18)24)12-8-5-9-13-21/h3,14-15,17-18H,1,4-13H2,2H3
InChIKeyBAXRRIXBMXIOSM-UHFFFAOYSA-N
XLogP3.27
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate with MolForge

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Related Compounds

cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate
CID 150653139
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
2,2-dicyclohexyloxyethyl prop-2-enoate
CID 57291366
1-cyclohexyloxyethyl acetate
CID 58944366
(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647
spiro[4.6]undecan-4-yl prop-2-enoate
CID 164546838
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
1-cyclopentyloxyethyl acetate
CID 58944284
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
CID 141485230
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate?
The IUPAC name of [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate (CID 163443965) is [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate.
What is the SMILES notation for [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate?
The canonical SMILES for [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate is C=CC(=O)OC1C(=O)C2(CCCCC2)C(=O)C1OC(C)OC1CCCCC1.
What is the InChIKey of [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate?
The InChIKey is BAXRRIXBMXIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O6/c1-3-16(22)27-18-17(26-14(2)25-15-10-6-4-7-11-15)19(23)21(20(18)24)12-8-5-9-13-21/h3,14-15,17-18H,1,4-13H2,2H3.
What are the key properties of [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate?
[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate has a molecular weight of 378.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate is sourced from PubChem (CID 163443965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).