(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one

C18H24O3 — CID 138964519

IUPAC(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)C2(C1)OCC(=O)O2
InChIInChI=1S/C18H24O3/c1-13-9-10-15(18(11-13)20-12-16(19)21-18)17(2,3)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15+,18?/m1/s1
InChIKeyLPZAQMSNXOQYMP-PWXCZCIESA-N
MW288.39 g/mol
LogP3.67
Rot. Bonds2

About (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one

(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 138964519) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID138964519
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)C2(C1)OCC(=O)O2
InChIInChI=1S/C18H24O3/c1-13-9-10-15(18(11-13)20-12-16(19)21-18)17(2,3)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15+,18?/m1/s1
InChIKeyLPZAQMSNXOQYMP-PWXCZCIESA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one (CID 138964519) is (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)C2(C1)OCC(=O)O2.
What is the InChIKey of (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is LPZAQMSNXOQYMP-PWXCZCIESA-N. The full InChI is InChI=1S/C18H24O3/c1-13-9-10-15(18(11-13)20-12-16(19)21-18)17(2,3)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15+,18?/m1/s1.
What are the key properties of (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one?
(6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one has a molecular weight of 288.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R)-9-methyl-6-(2-phenylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 138964519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).