8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol

C10H18O3 — CID 59396289

IUPAC8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h11H,2-8H2,1H3
InChIKeyYJTBQYZPNPZREK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.44
Rot. Bonds1

About 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol

8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59396289) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59396289
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h11H,2-8H2,1H3
InChIKeyYJTBQYZPNPZREK-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 59396289) is 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol is CCC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is YJTBQYZPNPZREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h11H,2-8H2,1H3.
What are the key properties of 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol?
8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 186.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59396289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).