(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid

C10H16O4 — CID 130642210

IUPAC(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
SMILESCC1CC[C@@H](C(=O)O)CC12OCCO2
InChIInChI=1S/C10H16O4/c1-7-2-3-8(9(11)12)6-10(7)13-4-5-14-10/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyKMLLCEWDOBOSCK-BRFYHDHCSA-N
MW200.23 g/mol
LogP1.25
Rot. Bonds1

About (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid

(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid (PubChem CID 130642210) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
PubChem CID130642210
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
SMILESCC1CC[C@@H](C(=O)O)CC12OCCO2
InChIInChI=1S/C10H16O4/c1-7-2-3-8(9(11)12)6-10(7)13-4-5-14-10/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyKMLLCEWDOBOSCK-BRFYHDHCSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
CID 593229
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
CID 173230624
CID 173230624
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
CID 175051944
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012
(1S)-1-ethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87456882
2-methyloxane-4-carboxylic acid
CID 3729256

Frequently Asked Questions

What is the IUPAC name of (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid (CID 130642210) is (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid is CC1CC[C@@H](C(=O)O)CC12OCCO2.
What is the InChIKey of (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is KMLLCEWDOBOSCK-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-2-3-8(9(11)12)6-10(7)13-4-5-14-10/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-/m1/s1.
What are the key properties of (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid?
(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 130642210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).