(7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid

C9H14O4 — CID 70440459

IUPAC(7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)7-2-1-3-9(6-7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyHEZLFRSIBZCCRD-SSDOTTSWSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds1

About (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid

(7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid (PubChem CID 70440459) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
PubChem CID70440459
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)7-2-1-3-9(6-7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyHEZLFRSIBZCCRD-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid (CID 70440459) is (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid is O=C(O)[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is HEZLFRSIBZCCRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)7-2-1-3-9(6-7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
(7R)-1,4-dioxaspiro[4.5]decane-7-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 (7R)-1,4-dioxaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 70440459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).