(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one

C14H24O3 — CID 101354312

IUPAC(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)OC[C@@]2(CCC(C)(C)C(=O)C2(C)C)O1
InChIInChI=1S/C14H24O3/c1-11(2)7-8-14(12(3,4)10(11)15)9-16-13(5,6)17-14/h7-9H2,1-6H3/t14-/m1/s1
InChIKeyXUHILHRDLDPAFP-CQSZACIVSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds

About (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one

(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one (PubChem CID 101354312) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one
PubChem CID101354312
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)OC[C@@]2(CCC(C)(C)C(=O)C2(C)C)O1
InChIInChI=1S/C14H24O3/c1-11(2)7-8-14(12(3,4)10(11)15)9-16-13(5,6)17-14/h7-9H2,1-6H3/t14-/m1/s1
InChIKeyXUHILHRDLDPAFP-CQSZACIVSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one with MolForge

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Related Compounds

7,7-dimethylspiro[3.4]octan-8-one
CID 45098314
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998
2,2,4,4,5,5-hexamethyloxolan-3-one
CID 130031129
2-(1-hydroxyethyl)-2,5,5-trimethylcyclopentan-1-one
CID 130038200
(5R,7S,8S)-7,8-dihydroxy-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decan-6-one
CID 71197714
(1R,2S,6R,7S)-10,10-dimethyl-4,9,11-trioxatricyclo[5.5.0.02,6]dodecane-3,5-dione
CID 154715926
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
CID 535012
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
2-[2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 10490899
4-hydroxy-1,4a-dimethyl-7-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 162859538

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one?
The IUPAC name of (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one (CID 101354312) is (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one is CC1(C)OC[C@@]2(CCC(C)(C)C(=O)C2(C)C)O1.
What is the InChIKey of (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one?
The InChIKey is XUHILHRDLDPAFP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)7-8-14(12(3,4)10(11)15)9-16-13(5,6)17-14/h7-9H2,1-6H3/t14-/m1/s1.
What are the key properties of (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one?
(5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one has a molecular weight of 240.34 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,6,6,8,8-hexamethyl-1,3-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 101354312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).