(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane

C16H30O2 — CID 168973924

IUPAC(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
SMILESCC(C)C1OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C16H30O2/c1-11(2)14-7-6-13(5)8-16(14)9-17-15(12(3)4)18-10-16/h11-15H,6-10H2,1-5H3/t13-,14+,15?,16?/m1/s1
InChIKeyIKWINQNPELUNRU-QVOMUQBLSA-N
MW254.41 g/mol
LogP4.09
Rot. Bonds2

About (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane

(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane (PubChem CID 168973924) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
PubChem CID168973924
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
SMILESCC(C)C1OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C16H30O2/c1-11(2)14-7-6-13(5)8-16(14)9-17-15(12(3)4)18-10-16/h11-15H,6-10H2,1-5H3/t13-,14+,15?,16?/m1/s1
InChIKeyIKWINQNPELUNRU-QVOMUQBLSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane?
The IUPAC name of (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane (CID 168973924) is (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane.
What is the SMILES notation for (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane?
The canonical SMILES for (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane is CC(C)C1OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C.
What is the InChIKey of (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane?
The InChIKey is IKWINQNPELUNRU-QVOMUQBLSA-N. The full InChI is InChI=1S/C16H30O2/c1-11(2)14-7-6-13(5)8-16(14)9-17-15(12(3)4)18-10-16/h11-15H,6-10H2,1-5H3/t13-,14+,15?,16?/m1/s1.
What are the key properties of (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane?
(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane has a molecular weight of 254.41 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane is sourced from PubChem (CID 168973924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).