[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate

C19H30O6 — CID 140908401

IUPAC[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OC2(CCCCC2)OC1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H30O6/c1-13(2)17(21)22-12-15-14(11-16(20)25-18(3,4)5)23-19(24-15)9-7-6-8-10-19/h14-15H,1,6-12H2,2-5H3
InChIKeyXWIZUJOLEONBJM-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.28
Rot. Bonds5

About [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate

[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate (PubChem CID 140908401) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate
PubChem CID140908401
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Name[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1OC2(CCCCC2)OC1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H30O6/c1-13(2)17(21)22-12-15-14(11-16(20)25-18(3,4)5)23-19(24-15)9-7-6-8-10-19/h14-15H,1,6-12H2,2-5H3
InChIKeyXWIZUJOLEONBJM-UHFFFAOYSA-N
XLogP3.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate 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

CID 88971700
CID 88971700
CID 88971789
CID 88971789
2-(1,4-dioxaspiro[4.7]dodecan-3-yl)propan-2-yl 2-methylprop-2-enoate
CID 167189874
CID 177499786
CID 177499786
tert-butyl (3R)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-enoate
CID 101403885
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 122376222
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 22826609
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate
CID 101158689
1,4,6-trioxaspiro[4.4]nonan-3-ylmethyl 2-methylprop-2-enoate
CID 86029042
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 19761985
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10958008

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate (CID 140908401) is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1OC2(CCCCC2)OC1CC(=O)OC(C)(C)C.
What is the InChIKey of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate?
The InChIKey is XWIZUJOLEONBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O6/c1-13(2)17(21)22-12-15-14(11-16(20)25-18(3,4)5)23-19(24-15)9-7-6-8-10-19/h14-15H,1,6-12H2,2-5H3.
What are the key properties of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate?
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate has a molecular weight of 354.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 140908401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).