ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate

C10H16O4 — CID 10536021

IUPACethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESCCOC(=O)C1CCCC12OCCO2
InChIInChI=1S/C10H16O4/c1-2-12-9(11)8-4-3-5-10(8)13-6-7-14-10/h8H,2-7H2,1H3
InChIKeyATCDTZUOROSQQZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds2

About ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate

ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate (PubChem CID 10536021) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate
PubChem CID10536021
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESCCOC(=O)C1CCCC12OCCO2
InChIInChI=1S/C10H16O4/c1-2-12-9(11)8-4-3-5-10(8)13-6-7-14-10/h8H,2-7H2,1H3
InChIKeyATCDTZUOROSQQZ-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The IUPAC name of ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate (CID 10536021) is ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate.
What is the SMILES notation for ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The canonical SMILES for ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate is CCOC(=O)C1CCCC12OCCO2.
What is the InChIKey of ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The InChIKey is ATCDTZUOROSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-12-9(11)8-4-3-5-10(8)13-6-7-14-10/h8H,2-7H2,1H3.
What are the key properties of ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dioxaspiro[4.4]nonane-9-carboxylate is sourced from PubChem (CID 10536021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).