(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane

C15H28O2 — CID 15722716

IUPAC(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC[C@H]1CCCOC12OCCC[C@@H]2CCC
InChIInChI=1S/C15H28O2/c1-3-7-13-9-5-11-16-15(13)14(8-4-2)10-6-12-17-15/h13-14H,3-12H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyHXKAFLOTFIXOGZ-ZYOSVBKOSA-N
MW240.39 g/mol
LogP4.14
Rot. Bonds4

About (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane

(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 15722716) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane
PubChem CID15722716
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane
SMILESCCC[C@H]1CCCOC12OCCC[C@@H]2CCC
InChIInChI=1S/C15H28O2/c1-3-7-13-9-5-11-16-15(13)14(8-4-2)10-6-12-17-15/h13-14H,3-12H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyHXKAFLOTFIXOGZ-ZYOSVBKOSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane (CID 15722716) is (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane is CCC[C@H]1CCCOC12OCCC[C@@H]2CCC.
What is the InChIKey of (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is HXKAFLOTFIXOGZ-ZYOSVBKOSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-7-13-9-5-11-16-15(13)14(8-4-2)10-6-12-17-15/h13-14H,3-12H2,1-2H3/t13-,14-,15?/m0/s1.
What are the key properties of (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane?
(5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 240.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11S)-5,11-dipropyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 15722716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).