2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]

C12H20O2 — CID 150408477

IUPAC2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
SMILESCCC1OCCC2(CC3CCC2C3)O1
InChIInChI=1S/C12H20O2/c1-2-11-13-6-5-12(14-11)8-9-3-4-10(12)7-9/h9-11H,2-8H2,1H3
InChIKeyHFGZYZNCLXQRNK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.72
Rot. Bonds1

About 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]

2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane] (PubChem CID 150408477) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
PubChem CID150408477
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
SMILESCCC1OCCC2(CC3CCC2C3)O1
InChIInChI=1S/C12H20O2/c1-2-11-13-6-5-12(14-11)8-9-3-4-10(12)7-9/h9-11H,2-8H2,1H3
InChIKeyHFGZYZNCLXQRNK-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane] (CID 150408477) is 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane] is CCC1OCCC2(CC3CCC2C3)O1.
What is the InChIKey of 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]?
The InChIKey is HFGZYZNCLXQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-11-13-6-5-12(14-11)8-9-3-4-10(12)7-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]?
2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane] has a molecular weight of 196.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 150408477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).