(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one

C14H24O3 — CID 10922675

IUPAC(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one
SMILESCCCC[C@H]1CC(=O)CC[C@]12COC(C)(C)O2
InChIInChI=1S/C14H24O3/c1-4-5-6-11-9-12(15)7-8-14(11)10-16-13(2,3)17-14/h11H,4-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyFILIDYPRWPMEBX-FZMZJTMJSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds3

About (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one

(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one (PubChem CID 10922675) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one
PubChem CID10922675
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one
SMILESCCCC[C@H]1CC(=O)CC[C@]12COC(C)(C)O2
InChIInChI=1S/C14H24O3/c1-4-5-6-11-9-12(15)7-8-14(11)10-16-13(2,3)17-14/h11H,4-10H2,1-3H3/t11-,14-/m0/s1
InChIKeyFILIDYPRWPMEBX-FZMZJTMJSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one?
The IUPAC name of (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one (CID 10922675) is (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one is CCCC[C@H]1CC(=O)CC[C@]12COC(C)(C)O2.
What is the InChIKey of (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one?
The InChIKey is FILIDYPRWPMEBX-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-6-11-9-12(15)7-8-14(11)10-16-13(2,3)17-14/h11H,4-10H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one?
(5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one has a molecular weight of 240.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-butyl-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 10922675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).