ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate

C12H20O4 — CID 567526

IUPACethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate
SMILESCCOC(=O)CC1CCCCC12OCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(13)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,2-9H2,1H3
InChIKeyRQCRKRWTYLZRSX-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate

ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate (PubChem CID 567526) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate
PubChem CID567526
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate
SMILESCCOC(=O)CC1CCCCC12OCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(13)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,2-9H2,1H3
InChIKeyRQCRKRWTYLZRSX-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate?
The IUPAC name of ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate (CID 567526) is ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate.
What is the SMILES notation for ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate?
The canonical SMILES for ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate is CCOC(=O)CC1CCCCC12OCCO2.
What is the InChIKey of ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate?
The InChIKey is RQCRKRWTYLZRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-14-11(13)9-10-5-3-4-6-12(10)15-7-8-16-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate?
ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate is sourced from PubChem (CID 567526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).