(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid

C12H18O6 — CID 155408606

IUPAC(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid
SMILESCOC1O[C@@]2(CCC2C(=O)O)C2OC(C)(C)OC12
InChIInChI=1S/C12H18O6/c1-11(2)16-7-8(17-11)12(18-10(7)15-3)5-4-6(12)9(13)14/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6?,7?,8?,10?,12-/m1/s1
InChIKeyCCQXXFZGQNKYMS-RTVVSXBSSA-N
MW258.27 g/mol
LogP0.74
Rot. Bonds2

About (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid

(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid (PubChem CID 155408606) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid.

Molecular Properties

Compound Name(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid
PubChem CID155408606
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid
SMILESCOC1O[C@@]2(CCC2C(=O)O)C2OC(C)(C)OC12
InChIInChI=1S/C12H18O6/c1-11(2)16-7-8(17-11)12(18-10(7)15-3)5-4-6(12)9(13)14/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6?,7?,8?,10?,12-/m1/s1
InChIKeyCCQXXFZGQNKYMS-RTVVSXBSSA-N
XLogP0.74
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid?
The IUPAC name of (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid (CID 155408606) is (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid.
What is the SMILES notation for (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid?
The canonical SMILES for (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid is COC1O[C@@]2(CCC2C(=O)O)C2OC(C)(C)OC12.
What is the InChIKey of (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid?
The InChIKey is CCQXXFZGQNKYMS-RTVVSXBSSA-N. The full InChI is InChI=1S/C12H18O6/c1-11(2)16-7-8(17-11)12(18-10(7)15-3)5-4-6(12)9(13)14/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6?,7?,8?,10?,12-/m1/s1.
What are the key properties of (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid?
(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-carboxylic acid is sourced from PubChem (CID 155408606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).