6,10-dioxaspiro[4.5]decane-3-carboxylic acid

C9H14O4 — CID 130767657

IUPAC6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CCC2(C1)OCCCO2
InChIInChI=1S/C9H14O4/c10-8(11)7-2-3-9(6-7)12-4-1-5-13-9/h7H,1-6H2,(H,10,11)
InChIKeyYZEMVZRMIVINEN-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds1

About 6,10-dioxaspiro[4.5]decane-3-carboxylic acid

6,10-dioxaspiro[4.5]decane-3-carboxylic acid (PubChem CID 130767657) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6,10-dioxaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name6,10-dioxaspiro[4.5]decane-3-carboxylic acid
PubChem CID130767657
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name6,10-dioxaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CCC2(C1)OCCCO2
InChIInChI=1S/C9H14O4/c10-8(11)7-2-3-9(6-7)12-4-1-5-13-9/h7H,1-6H2,(H,10,11)
InChIKeyYZEMVZRMIVINEN-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.4]nonane-7-carboxylic acid
CID 21467222
8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic Acid
CID 11535852
(3-Hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11543956
(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 15227852
3-(Methoxymethoxy)cyclopentane-1-carboxylic acid
CID 19804660
Methyl 3-(oxan-2-yloxy)cyclopentane-1-carboxylate
CID 20328696
Methyl 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 22906262
(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894625
(S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic acid
CID 58894626
8,8-Dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 58894627
3,8,8-Trimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid
CID 59540758
Ethyl 6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 66658628

Frequently Asked Questions

What is the IUPAC name of 6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 6,10-dioxaspiro[4.5]decane-3-carboxylic acid (CID 130767657) is 6,10-dioxaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 6,10-dioxaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CCC2(C1)OCCCO2.
What is the InChIKey of 6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is YZEMVZRMIVINEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)7-2-3-9(6-7)12-4-1-5-13-9/h7H,1-6H2,(H,10,11).
What are the key properties of 6,10-dioxaspiro[4.5]decane-3-carboxylic acid?
6,10-dioxaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dioxaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 130767657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).