1,9-dioxaspiro[4.6]undecane-2-carboxylic acid

C10H16O4 — CID 130585145

IUPAC1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCCOCC2)O1
InChIInChI=1S/C10H16O4/c11-9(12)8-2-4-10(14-8)3-1-6-13-7-5-10/h8H,1-7H2,(H,11,12)
InChIKeyPGLHLADHUPVLMC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.19
Rot. Bonds1

About 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid

1,9-dioxaspiro[4.6]undecane-2-carboxylic acid (PubChem CID 130585145) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid.

Molecular Properties

Compound Name1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
PubChem CID130585145
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCCOCC2)O1
InChIInChI=1S/C10H16O4/c11-9(12)8-2-4-10(14-8)3-1-6-13-7-5-10/h8H,1-7H2,(H,11,12)
InChIKeyPGLHLADHUPVLMC-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxaspiro[4.4]nonane-2-carboxylic acid
CID 130585120
4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylic acid
CID 131691977
6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
CID 167736831
(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
CID 130933893
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584482
4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
CID 167832821
carbonic acid;oxane
CID 70293219
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 95364014
2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306
2,8-dioxaspiro[4.5]decane-3-carboxylic acid
CID 138990940
3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
CID 103739463

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid?
The IUPAC name of 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid (CID 130585145) is 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid.
What is the SMILES notation for 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid?
The canonical SMILES for 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid is O=C(O)C1CCC2(CCCOCC2)O1.
What is the InChIKey of 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid?
The InChIKey is PGLHLADHUPVLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)8-2-4-10(14-8)3-1-6-13-7-5-10/h8H,1-7H2,(H,11,12).
What are the key properties of 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid?
1,9-dioxaspiro[4.6]undecane-2-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[4.6]undecane-2-carboxylic acid is sourced from PubChem (CID 130585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).