8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

C11H17O4- — CID 22236514

IUPAC8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCC1(C(=O)[O-])CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O4/c1-2-10(9(12)13)3-5-11(6-4-10)14-7-8-15-11/h2-8H2,1H3,(H,12,13)/p-1
InChIKeyMEUTXOHJZRIHFF-UHFFFAOYSA-M
MW213.25 g/mol
LogP0.45
Rot. Bonds2

About 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 22236514) has the molecular formula C11H17O4- and a molecular weight of 213.25 g/mol. Its IUPAC name is 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID22236514
Molecular FormulaC11H17O4-
Molecular Weight213.25 g/mol
Exact Mass213.11
IUPAC Name8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCC1(C(=O)[O-])CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O4/c1-2-10(9(12)13)3-5-11(6-4-10)14-7-8-15-11/h2-8H2,1H3,(H,12,13)/p-1
InChIKeyMEUTXOHJZRIHFF-UHFFFAOYSA-M
XLogP0.45
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Ethyl 8-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030594
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
8-Methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 22591379
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
CID 10562135
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
Ethyl 8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030543
Ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
Ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 67960160

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 22236514) is 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCC1(C(=O)[O-])CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is MEUTXOHJZRIHFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18O4/c1-2-10(9(12)13)3-5-11(6-4-10)14-7-8-15-11/h2-8H2,1H3,(H,12,13)/p-1.
What are the key properties of 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 213.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 22236514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).