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

C10H14O5 — CID 155407565

IUPAC(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
SMILESCOC1O[C@@]2(C(=O)CC2C)C2OCOC12
InChIInChI=1S/C10H14O5/c1-5-3-6(11)10(5)8-7(13-4-14-8)9(12-2)15-10/h5,7-9H,3-4H2,1-2H3/t5?,7?,8?,9?,10-/m0/s1
InChIKeyIBYRQVCFNWYBID-ZYFFXDGUSA-N
MW214.22 g/mol
LogP0.08
Rot. Bonds1

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

(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one (PubChem CID 155407565) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
PubChem CID155407565
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
SMILESCOC1O[C@@]2(C(=O)CC2C)C2OCOC12
InChIInChI=1S/C10H14O5/c1-5-3-6(11)10(5)8-7(13-4-14-8)9(12-2)15-10/h5,7-9H,3-4H2,1-2H3/t5?,7?,8?,9?,10-/m0/s1
InChIKeyIBYRQVCFNWYBID-ZYFFXDGUSA-N
XLogP0.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The IUPAC name of (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one (CID 155407565) is (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one.
What is the SMILES notation for (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The canonical SMILES for (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one is COC1O[C@@]2(C(=O)CC2C)C2OCOC12.
What is the InChIKey of (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
The InChIKey is IBYRQVCFNWYBID-ZYFFXDGUSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-3-6(11)10(5)8-7(13-4-14-8)9(12-2)15-10/h5,7-9H,3-4H2,1-2H3/t5?,7?,8?,9?,10-/m0/s1.
What are the key properties of (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one?
(4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one has a molecular weight of 214.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-3'-methylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one is sourced from PubChem (CID 155407565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).