7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol

C16H22O5 — CID 62336910

IUPAC7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCOc1cccc(OC2CC3(CCC2O)OCCO3)c1
InChIInChI=1S/C16H22O5/c1-2-18-12-4-3-5-13(10-12)21-15-11-16(7-6-14(15)17)19-8-9-20-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3
InChIKeyLMTKUZPOTRRKKE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.12
Rot. Bonds4

About 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol

7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 62336910) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID62336910
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCOc1cccc(OC2CC3(CCC2O)OCCO3)c1
InChIInChI=1S/C16H22O5/c1-2-18-12-4-3-5-13(10-12)21-15-11-16(7-6-14(15)17)19-8-9-20-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3
InChIKeyLMTKUZPOTRRKKE-UHFFFAOYSA-N
XLogP2.12
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (CID 62336910) is 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol is CCOc1cccc(OC2CC3(CCC2O)OCCO3)c1.
What is the InChIKey of 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LMTKUZPOTRRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-2-18-12-4-3-5-13(10-12)21-15-11-16(7-6-14(15)17)19-8-9-20-16/h3-5,10,14-15,17H,2,6-9,11H2,1H3.
What are the key properties of 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 294.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethoxyphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 62336910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).