(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one

C11H18O2 — CID 10679003

IUPAC(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC[C@H]1CC[C@@]2(CCCC2=O)OC1
InChIInChI=1S/C11H18O2/c1-2-9-5-7-11(13-8-9)6-3-4-10(11)12/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyNONBDBNUQMEFNH-GXSJLCMTSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds1

About (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one

(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 10679003) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
PubChem CID10679003
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC[C@H]1CC[C@@]2(CCCC2=O)OC1
InChIInChI=1S/C11H18O2/c1-2-9-5-7-11(13-8-9)6-3-4-10(11)12/h9H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyNONBDBNUQMEFNH-GXSJLCMTSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one (CID 10679003) is (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one is CC[C@H]1CC[C@@]2(CCCC2=O)OC1.
What is the InChIKey of (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is NONBDBNUQMEFNH-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9-5-7-11(13-8-9)6-3-4-10(11)12/h9H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one?
(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 10679003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).