(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one

C13H22O2 — CID 11252812

IUPAC(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCC(=O)O2
InChIInChI=1S/C13H22O2/c1-9(2)11-5-4-10(3)8-13(11)7-6-12(14)15-13/h9-11H,4-8H2,1-3H3/t10-,11+,13+/m1/s1
InChIKeyFFMKZUBOMHSURP-MDZLAQPJSA-N
MW210.32 g/mol
LogP3.15
Rot. Bonds1

About (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one

(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one (PubChem CID 11252812) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
PubChem CID11252812
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCC(=O)O2
InChIInChI=1S/C13H22O2/c1-9(2)11-5-4-10(3)8-13(11)7-6-12(14)15-13/h9-11H,4-8H2,1-3H3/t10-,11+,13+/m1/s1
InChIKeyFFMKZUBOMHSURP-MDZLAQPJSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydromintlactone
CID 14344497
Hexahydro-4-methylphthalic anhydride
CID 86876
1-Oxaspiro(4.5)decan-2-one, 8-methyl-
CID 175596
Tetrahydroactinidiolide
CID 536454
1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, cis-
CID 18598146
1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans-
CID 6452049
4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one
CID 15559823
Iso-ambreinolide
CID 15559824
8-(1,1-Dimethylethyl)-1-oxaspiro[4.5]decan-2-one
CID 5260295
(3aS,7aR)-3,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 6994918
(4aR,7S,8S,8aR)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one
CID 163011048
4-Methylcyclohexyl-1,6-dicarboxylic acid anhydride
CID 59722415

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one (CID 11252812) is (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CCC(=O)O2.
What is the InChIKey of (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is FFMKZUBOMHSURP-MDZLAQPJSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)11-5-4-10(3)8-13(11)7-6-12(14)15-13/h9-11H,4-8H2,1-3H3/t10-,11+,13+/m1/s1.
What are the key properties of (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
(5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,9R)-9-methyl-6-propan-2-yl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 11252812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).