ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate

C14H24O3 — CID 134907720

IUPACethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
SMILESCCOC(=O)CC1CC2(CCCCC2)CCO1
InChIInChI=1S/C14H24O3/c1-2-16-13(15)10-12-11-14(8-9-17-12)6-4-3-5-7-14/h12H,2-11H2,1H3
InChIKeyYOZNMHMIGJOXTA-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds3

About ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate

ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate (PubChem CID 134907720) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
PubChem CID134907720
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
SMILESCCOC(=O)CC1CC2(CCCCC2)CCO1
InChIInChI=1S/C14H24O3/c1-2-16-13(15)10-12-11-14(8-9-17-12)6-4-3-5-7-14/h12H,2-11H2,1H3
InChIKeyYOZNMHMIGJOXTA-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4,4-dimethyloxan-2-yl)acetate
CID 10375536
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 4-(2-methyloxan-2-yl)-4-oxobutanoate
CID 80681018
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
CID 7241657
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate?
The IUPAC name of ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate (CID 134907720) is ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate is CCOC(=O)CC1CC2(CCCCC2)CCO1.
What is the InChIKey of ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate?
The InChIKey is YOZNMHMIGJOXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-16-13(15)10-12-11-14(8-9-17-12)6-4-3-5-7-14/h12H,2-11H2,1H3.
What are the key properties of ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate?
ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate has a molecular weight of 240.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate is sourced from PubChem (CID 134907720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).