(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid

C11H18O4 — CID 15203100

IUPAC(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)COC2(CCCC2)O1
InChIInChI=1S/C11H18O4/c1-2-5-10(9(12)13)8-14-11(15-10)6-3-4-7-11/h2-8H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyMPDGLSHSFJZTRP-SNVBAGLBSA-N
MW214.26 g/mol
LogP1.93
Rot. Bonds3

About (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid

(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid (PubChem CID 15203100) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
PubChem CID15203100
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
SMILESCCC[C@]1(C(=O)O)COC2(CCCC2)O1
InChIInChI=1S/C11H18O4/c1-2-5-10(9(12)13)8-14-11(15-10)6-3-4-7-11/h2-8H2,1H3,(H,12,13)/t10-/m1/s1
InChIKeyMPDGLSHSFJZTRP-SNVBAGLBSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
1-propylcyclooctane-1-carboxylic acid
CID 80611944
[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol
CID 67888178
[(3S)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl] 2-methylbutanoate
CID 172693361
(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methanol
CID 19373389
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
CID 154968308
(3-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)-phenylmethanone
CID 22416111
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
2-butyl-3H-furan-2-carboxylic acid
CID 70502273
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid?
The IUPAC name of (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid (CID 15203100) is (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid.
What is the SMILES notation for (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid?
The canonical SMILES for (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid is CCC[C@]1(C(=O)O)COC2(CCCC2)O1.
What is the InChIKey of (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid?
The InChIKey is MPDGLSHSFJZTRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-5-10(9(12)13)8-14-11(15-10)6-3-4-7-11/h2-8H2,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid?
(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid is sourced from PubChem (CID 15203100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).