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

C11H20O2 — CID 12705597

IUPAC(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@H]1CCCOC12OCCC[C@@H]2C
InChIInChI=1S/C11H20O2/c1-9-5-3-7-12-11(9)10(2)6-4-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1
InChIKeyWLDFWMGHMJLKHK-QRHSGQBVSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds

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

(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 12705597) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID12705597
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@H]1CCCOC12OCCC[C@@H]2C
InChIInChI=1S/C11H20O2/c1-9-5-3-7-12-11(9)10(2)6-4-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1
InChIKeyWLDFWMGHMJLKHK-QRHSGQBVSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
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-dimethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane (CID 12705597) is (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane is C[C@H]1CCCOC12OCCC[C@@H]2C.
What is the InChIKey of (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is WLDFWMGHMJLKHK-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-5-3-7-12-11(9)10(2)6-4-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1.
What are the key properties of (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane?
(5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 184.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 12705597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).