(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one

C10H14O5 — CID 163870853

IUPAC(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one
SMILESCC1(C)O[C@H]2OC3(CC(=O)C3)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H14O5/c1-9(2)13-6-7(12)10(3-5(11)4-10)15-8(6)14-9/h6-8,12H,3-4H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyPKQRRIXGTUEZGX-PRJMDXOYSA-N
MW214.22 g/mol
LogP-0.04
Rot. Bonds

About (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one

(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one (PubChem CID 163870853) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one
PubChem CID163870853
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one
SMILESCC1(C)O[C@H]2OC3(CC(=O)C3)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H14O5/c1-9(2)13-6-7(12)10(3-5(11)4-10)15-8(6)14-9/h6-8,12H,3-4H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyPKQRRIXGTUEZGX-PRJMDXOYSA-N
XLogP-0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-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

Related Compounds

2-[(3aS,5S,6aS)-5-ethyl-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]acetaldehyde;yttrium
CID 57736225
2-[(3aR,5S,6S,6aR)-5-(hydroxymethyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]acetaldehyde
CID 57792752
CID 58067046
CID 58067046
(3a'S,6'R,6a'R)-6'-Methoxy-2',2'-dimethyldihydro-6'H-spiro[cyclobutane-1,4'-furo[3,4-d][1,3]dioxol]-3-one
CID 138741922
(4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407410
(4R)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407411
(3aS,4S,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407498
(3aS,4R,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155407503
(3aS,6R,6aR)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 155737472
1-[(3aR,5R,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxypropan-2-one
CID 158335200
(4R,6aS)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935099
(4S,6aS)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclobutane]-1'-one
CID 164935132

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one?
The IUPAC name of (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one (CID 163870853) is (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one.
What is the SMILES notation for (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one?
The canonical SMILES for (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one is CC1(C)O[C@H]2OC3(CC(=O)C3)[C@H](O)[C@H]2O1.
What is the InChIKey of (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one?
The InChIKey is PKQRRIXGTUEZGX-PRJMDXOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-9(2)13-6-7(12)10(3-5(11)4-10)15-8(6)14-9/h6-8,12H,3-4H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one?
(3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one has a molecular weight of 214.22 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-hydroxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one is sourced from PubChem (CID 163870853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).