ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate

C11H18O4 — CID 11042109

IUPACethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
SMILESCCOC(=O)C[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-2-13-10(12)7-9-3-4-11(8-9)14-5-6-15-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyGDNHPGUWWYZTSB-SECBINFHSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds3

About ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate

ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate (PubChem CID 11042109) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
PubChem CID11042109
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate
SMILESCCOC(=O)C[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-2-13-10(12)7-9-3-4-11(8-9)14-5-6-15-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyGDNHPGUWWYZTSB-SECBINFHSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate?
The IUPAC name of ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate (CID 11042109) is ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate.
What is the SMILES notation for ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate?
The canonical SMILES for ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate is CCOC(=O)C[C@H]1CCC2(C1)OCCO2.
What is the InChIKey of ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate?
The InChIKey is GDNHPGUWWYZTSB-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-13-10(12)7-9-3-4-11(8-9)14-5-6-15-11/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate?
ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]acetate is sourced from PubChem (CID 11042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).