ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate

C11H18O5 — CID 11287669

IUPACethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CCCO2)OO1
InChIInChI=1S/C11H18O5/c1-2-13-10(12)8-9-4-6-11(16-15-9)5-3-7-14-11/h9H,2-8H2,1H3
InChIKeyLAPVOFXHBIDZGJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.56
Rot. Bonds3

About ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate

ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 11287669) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate
PubChem CID11287669
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CCCO2)OO1
InChIInChI=1S/C11H18O5/c1-2-13-10(12)8-9-4-6-11(16-15-9)5-3-7-14-11/h9H,2-8H2,1H3
InChIKeyLAPVOFXHBIDZGJ-UHFFFAOYSA-N
XLogP1.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(1,6,7-trioxaspiro[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

Methyl 2-(6-methoxy-6-pentyldioxan-3-yl)acetate
CID 10038236
Methyl 2-(6-methoxy-6-nonyldioxan-3-yl)acetate
CID 10245236
methyl 2-[(3R,6R)-6-methoxy-6-nonyldioxan-3-yl]acetate
CID 44375831
methyl 2-[(3S,6R)-6-methoxy-6-nonyldioxan-3-yl]acetate
CID 44375832
methyl 2-[(3S,6R)-6-methoxy-6-pentyldioxan-3-yl]acetate
CID 44376344
methyl 2-[(3R,6R)-6-methoxy-6-pentyldioxan-3-yl]acetate
CID 44376366
Methyl 2-(6-methoxy-6-methyldioxan-3-yl)acetate
CID 11241152
(6-Methoxy-6-pentyl-1,2-dioxan-3-YL)acetic acid
CID 44353333
Methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate
CID 13220198
methyl 2-[(2R,5R)-5-ethyloxolan-2-yl]acetate
CID 10773528
Ethyl 2-(6-butyl-6-methoxydioxan-3-yl)acetate
CID 11288432
methyl 2-[(2R,6S)-6-(2-oxopropyl)oxan-2-yl]acetate
CID 11572044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate (CID 11287669) is ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate is CCOC(=O)CC1CCC2(CCCO2)OO1.
What is the InChIKey of ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is LAPVOFXHBIDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-13-10(12)8-9-4-6-11(16-15-9)5-3-7-14-11/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate?
ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 230.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,6,7-trioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 11287669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).