(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid

C11H16O4 — CID 134917059

IUPAC(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
SMILESO=C(O)[C@@]12CCCC3(OCCO3)C1CC2
InChIInChI=1S/C11H16O4/c12-9(13)10-3-1-4-11(8(10)2-5-10)14-6-7-15-11/h8H,1-7H2,(H,12,13)/t8?,10-/m1/s1
InChIKeyVZGWUOHSNSUXPV-LHIURRSHSA-N
MW212.24 g/mol
LogP1.39
Rot. Bonds1

About (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid

(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid (PubChem CID 134917059) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid.

Molecular Properties

Compound Name(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
PubChem CID134917059
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
SMILESO=C(O)[C@@]12CCCC3(OCCO3)C1CC2
InChIInChI=1S/C11H16O4/c12-9(13)10-3-1-4-11(8(10)2-5-10)14-6-7-15-11/h8H,1-7H2,(H,12,13)/t8?,10-/m1/s1
InChIKeyVZGWUOHSNSUXPV-LHIURRSHSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
(3aR,7aR)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylic acid
CID 124509993
3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
CID 103739463
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
1-(1,1-dioxothian-4-yl)cyclobutane-1-carboxylic acid
CID 82619742
(1R,3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-pentalene-1,3a-dicarboxylic acid
CID 1224958
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
1-(oxiran-2-yl)cyclohexane-1-carboxylic acid
CID 10511348
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943

Frequently Asked Questions

What is the IUPAC name of (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid?
The IUPAC name of (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid (CID 134917059) is (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid.
What is the SMILES notation for (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid?
The canonical SMILES for (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid is O=C(O)[C@@]12CCCC3(OCCO3)C1CC2.
What is the InChIKey of (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid?
The InChIKey is VZGWUOHSNSUXPV-LHIURRSHSA-N. The full InChI is InChI=1S/C11H16O4/c12-9(13)10-3-1-4-11(8(10)2-5-10)14-6-7-15-11/h8H,1-7H2,(H,12,13)/t8?,10-/m1/s1.
What are the key properties of (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid?
(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid is sourced from PubChem (CID 134917059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).