(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one

C13H22O — CID 131857455

IUPAC(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one
SMILESCC[C@H]1CCC[C@H](C)C12CCCC2=O
InChIInChI=1S/C13H22O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h10-11H,3-9H2,1-2H3/t10-,11-,13?/m0/s1
InChIKeySCDBKSQVUHAUOM-WAQLSPKVSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds1

About (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one

(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one (PubChem CID 131857455) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one
PubChem CID131857455
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one
SMILESCC[C@H]1CCC[C@H](C)C12CCCC2=O
InChIInChI=1S/C13H22O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h10-11H,3-9H2,1-2H3/t10-,11-,13?/m0/s1
InChIKeySCDBKSQVUHAUOM-WAQLSPKVSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R,10R)-10-ethyl-6-methylspiro[4.5]decan-4-one
CID 69350579
(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one
CID 131857457
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 135019404
(7aR)-1-ethyl-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 148971058
(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one
CID 130891455
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
(5S)-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 143298667
cis-ethyl (1S,2R)-2-ethyl-1-methyl-6-oxocyclohexane-1-carboxylate
CID 10330815
2-amino-2,3-dimethylcyclohexan-1-one
CID 141130912
8-methylspiro[3.4]octan-3-one
CID 557011
9-methylspiro[3.5]nonan-3-one
CID 557033

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one?
The IUPAC name of (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one (CID 131857455) is (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one.
What is the SMILES notation for (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one?
The canonical SMILES for (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one is CC[C@H]1CCC[C@H](C)C12CCCC2=O.
What is the InChIKey of (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one?
The InChIKey is SCDBKSQVUHAUOM-WAQLSPKVSA-N. The full InChI is InChI=1S/C13H22O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h10-11H,3-9H2,1-2H3/t10-,11-,13?/m0/s1.
What are the key properties of (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one?
(6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one has a molecular weight of 194.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-10-ethyl-6-methylspiro[4.5]decan-4-one is sourced from PubChem (CID 131857455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).