(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid

C12H18O3 — CID 102065251

IUPAC(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid
SMILESCC1CCCC(=O)[C@@]12CC[C@@H](C(=O)O)C2
InChIInChI=1S/C12H18O3/c1-8-3-2-4-10(13)12(8)6-5-9(7-12)11(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8?,9-,12-/m1/s1
InChIKeyLVMDHMGYVIYLHU-LHYZIERNSA-N
MW210.27 g/mol
LogP2.25
Rot. Bonds1

About (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid

(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid (PubChem CID 102065251) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid
PubChem CID102065251
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid
SMILESCC1CCCC(=O)[C@@]12CC[C@@H](C(=O)O)C2
InChIInChI=1S/C12H18O3/c1-8-3-2-4-10(13)12(8)6-5-9(7-12)11(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8?,9-,12-/m1/s1
InChIKeyLVMDHMGYVIYLHU-LHYZIERNSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid (CID 102065251) is (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid is CC1CCCC(=O)[C@@]12CC[C@@H](C(=O)O)C2.
What is the InChIKey of (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid?
The InChIKey is LVMDHMGYVIYLHU-LHYZIERNSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-3-2-4-10(13)12(8)6-5-9(7-12)11(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8?,9-,12-/m1/s1.
What are the key properties of (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid?
(3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid has a molecular weight of 210.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 102065251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).