(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol

C8H14O5 — CID 24861883

IUPAC(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2COC(O)[C@@]2(CO)O1
InChIInChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6?,8-/m0/s1
InChIKeyYRCUKVHLSFCSAS-MMFDLBQYSA-N
MW190.19 g/mol
LogP-0.78
Rot. Bonds1

About (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol

(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 24861883) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID24861883
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2COC(O)[C@@]2(CO)O1
InChIInChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6?,8-/m0/s1
InChIKeyYRCUKVHLSFCSAS-MMFDLBQYSA-N
XLogP-0.78
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol 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

(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 129364122
[(1R,2R,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406943
[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl]methanol
CID 51406942
(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 11652206
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 171036232
(1R)-1-[(3aS,6R,6aS)-4-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 10922935
(3aS,6R,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 11095402
3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid
CID 23506534
2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
CID 130148007
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 175677124
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (CID 24861883) is (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@H]2COC(O)[C@@]2(CO)O1.
What is the InChIKey of (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is YRCUKVHLSFCSAS-MMFDLBQYSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(2)12-5-3-11-6(10)8(5,4-9)13-7/h5-6,9-10H,3-4H2,1-2H3/t5-,6?,8-/m0/s1.
What are the key properties of (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 190.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 24861883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).