10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane

C13H24O3 — CID 3504939

IUPAC10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane
SMILESCCCC1OCCC2(CCOC(C)(C)C2)O1
InChIInChI=1S/C13H24O3/c1-4-5-11-14-8-6-13(16-11)7-9-15-12(2,3)10-13/h11H,4-10H2,1-3H3
InChIKeySFODMPVKISMKAP-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.88
Rot. Bonds2

About 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane

10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane (PubChem CID 3504939) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane
PubChem CID3504939
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane
SMILESCCCC1OCCC2(CCOC(C)(C)C2)O1
InChIInChI=1S/C13H24O3/c1-4-5-11-14-8-6-13(16-11)7-9-15-12(2,3)10-13/h11H,4-10H2,1-3H3
InChIKeySFODMPVKISMKAP-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane?
The IUPAC name of 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane (CID 3504939) is 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane.
What is the SMILES notation for 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane?
The canonical SMILES for 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane is CCCC1OCCC2(CCOC(C)(C)C2)O1.
What is the InChIKey of 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane?
The InChIKey is SFODMPVKISMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-5-11-14-8-6-13(16-11)7-9-15-12(2,3)10-13/h11H,4-10H2,1-3H3.
What are the key properties of 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane?
10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane has a molecular weight of 228.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-propyl-1,3,9-trioxaspiro[5.5]undecane is sourced from PubChem (CID 3504939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).