ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate

C13H22O4 — CID 10562135

IUPACethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
SMILESCCOC(=O)CCC1CCCCC12OCCO2
InChIInChI=1S/C13H22O4/c1-2-15-12(14)7-6-11-5-3-4-8-13(11)16-9-10-17-13/h11H,2-10H2,1H3
InChIKeyLAIFVXUMDDCLFV-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds4

About ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate

ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate (PubChem CID 10562135) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
PubChem CID10562135
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
SMILESCCOC(=O)CCC1CCCCC12OCCO2
InChIInChI=1S/C13H22O4/c1-2-15-12(14)7-6-11-5-3-4-8-13(11)16-9-10-17-13/h11H,2-10H2,1H3
InChIKeyLAIFVXUMDDCLFV-UHFFFAOYSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.26
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 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid
CID 11745334
1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
CID 567526
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
dimethyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 67511086
Dimethyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanedioate
CID 67511089

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate?
The IUPAC name of ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate (CID 10562135) is ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate?
The canonical SMILES for ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate is CCOC(=O)CCC1CCCCC12OCCO2.
What is the InChIKey of ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate?
The InChIKey is LAIFVXUMDDCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-15-12(14)7-6-11-5-3-4-8-13(11)16-9-10-17-13/h11H,2-10H2,1H3.
What are the key properties of ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate?
ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate has a molecular weight of 242.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate is sourced from PubChem (CID 10562135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).