2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate

C22H38O7 — CID 165027481

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CC1)OCCO2.OCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4.C10H18O3/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12;11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h10H,2-9H2,1H3;9,11H,1-8H2
InChIKeyMCUGLCSLNAEXGU-UHFFFAOYSA-N
MW414.54 g/mol
LogP3.17
Rot. Bonds5

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 165027481) has the molecular formula C22H38O7 and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
PubChem CID165027481
Molecular FormulaC22H38O7
Molecular Weight414.54 g/mol
Exact Mass414.26
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CC1)OCCO2.OCCC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4.C10H18O3/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12;11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h10H,2-9H2,1H3;9,11H,1-8H2
InChIKeyMCUGLCSLNAEXGU-UHFFFAOYSA-N
XLogP3.17
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate 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

ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
CID 102852254
ethyl 2-(9-hexyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 139765484
ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate
CID 169226003
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate
CID 141040486
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
CID 79118456
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate (CID 165027481) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate is CCOC(=O)CC1CCC2(CC1)OCCO2.OCCC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is MCUGLCSLNAEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C10H18O3/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12;11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h10H,2-9H2,1H3;9,11H,1-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate?
2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 414.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 165027481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).