(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid

C9H14O4 — CID 130933893

IUPAC(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]2(CCCO2)CCO1
InChIInChI=1S/C9H14O4/c10-8(11)7-6-9(3-5-12-7)2-1-4-13-9/h7H,1-6H2,(H,10,11)/t7-,9+/m0/s1
InChIKeyXRKDXTWQFKVGCD-IONNQARKSA-N
MW186.21 g/mol
LogP0.80
Rot. Bonds1

About (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid

(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid (PubChem CID 130933893) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
PubChem CID130933893
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@]2(CCCO2)CCO1
InChIInChI=1S/C9H14O4/c10-8(11)7-6-9(3-5-12-7)2-1-4-13-9/h7H,1-6H2,(H,10,11)/t7-,9+/m0/s1
InChIKeyXRKDXTWQFKVGCD-IONNQARKSA-N
XLogP0.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
CID 130585145
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
1-oxaspiro[4.4]nonane-2-carboxylic acid
CID 130585120
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
2-oxaspiro[4.5]decane-3-carboxylic acid
CID 154578314
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
methanol;4-oxaspiro[2.4]heptane
CID 144744375

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid (CID 130933893) is (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid is O=C(O)[C@@H]1C[C@@]2(CCCO2)CCO1.
What is the InChIKey of (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is XRKDXTWQFKVGCD-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)7-6-9(3-5-12-7)2-1-4-13-9/h7H,1-6H2,(H,10,11)/t7-,9+/m0/s1.
What are the key properties of (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid?
(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 130933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).