(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol

C10H16O5 — CID 167191478

IUPAC(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol
SMILESCOC1O[C@]2(C[C@@H]2O)C2OC(C)(C)OC12
InChIInChI=1S/C10H16O5/c1-9(2)13-6-7(14-9)10(4-5(10)11)15-8(6)12-3/h5-8,11H,4H2,1-3H3/t5-,6?,7?,8?,10-/m0/s1
InChIKeyFMMGAUVOFBEUMP-VPYJBUCWSA-N
MW216.23 g/mol
LogP0.01
Rot. Bonds1

About (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol

(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol (PubChem CID 167191478) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol.

Molecular Properties

Compound Name(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol
PubChem CID167191478
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol
SMILESCOC1O[C@]2(C[C@@H]2O)C2OC(C)(C)OC12
InChIInChI=1S/C10H16O5/c1-9(2)13-6-7(14-9)10(4-5(10)11)15-8(6)12-3/h5-8,11H,4H2,1-3H3/t5-,6?,7?,8?,10-/m0/s1
InChIKeyFMMGAUVOFBEUMP-VPYJBUCWSA-N
XLogP0.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol?
The IUPAC name of (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol (CID 167191478) is (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol.
What is the SMILES notation for (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol?
The canonical SMILES for (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol is COC1O[C@]2(C[C@@H]2O)C2OC(C)(C)OC12.
What is the InChIKey of (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol?
The InChIKey is FMMGAUVOFBEUMP-VPYJBUCWSA-N. The full InChI is InChI=1S/C10H16O5/c1-9(2)13-6-7(14-9)10(4-5(10)11)15-8(6)12-3/h5-8,11H,4H2,1-3H3/t5-,6?,7?,8?,10-/m0/s1.
What are the key properties of (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol?
(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol has a molecular weight of 216.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol is sourced from PubChem (CID 167191478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).