1,13-dioxadispiro[4.1.57.25]tetradecane

C12H20O2 — CID 25053686

IUPAC1,13-dioxadispiro[4.1.57.25]tetradecane
SMILESC1CCC2(CC1)CC1(CCCO1)CO2
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-12(10-14-11)7-4-8-13-12/h1-10H2
InChIKeyGVOUTBGGLIPUHB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.66
Rot. Bonds

About 1,13-dioxadispiro[4.1.57.25]tetradecane

1,13-dioxadispiro[4.1.57.25]tetradecane (PubChem CID 25053686) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,13-dioxadispiro[4.1.57.25]tetradecane.

Molecular Properties

Compound Name1,13-dioxadispiro[4.1.57.25]tetradecane
PubChem CID25053686
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,13-dioxadispiro[4.1.57.25]tetradecane
SMILESC1CCC2(CC1)CC1(CCCO1)CO2
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-12(10-14-11)7-4-8-13-12/h1-10H2
InChIKeyGVOUTBGGLIPUHB-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,13-dioxadispiro[4.1.57.25]tetradecane?
The IUPAC name of 1,13-dioxadispiro[4.1.57.25]tetradecane (CID 25053686) is 1,13-dioxadispiro[4.1.57.25]tetradecane.
What is the SMILES notation for 1,13-dioxadispiro[4.1.57.25]tetradecane?
The canonical SMILES for 1,13-dioxadispiro[4.1.57.25]tetradecane is C1CCC2(CC1)CC1(CCCO1)CO2.
What is the InChIKey of 1,13-dioxadispiro[4.1.57.25]tetradecane?
The InChIKey is GVOUTBGGLIPUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-12(10-14-11)7-4-8-13-12/h1-10H2.
What are the key properties of 1,13-dioxadispiro[4.1.57.25]tetradecane?
1,13-dioxadispiro[4.1.57.25]tetradecane has a molecular weight of 196.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-dioxadispiro[4.1.57.25]tetradecane is sourced from PubChem (CID 25053686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).