6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C10H16O5 — CID 22177561

IUPAC6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=CC1(O)C(CO)OC2OC(C)(C)OC21
InChIInChI=1S/C10H16O5/c1-4-10(12)6(5-11)13-8-7(10)14-9(2,3)15-8/h4,6-8,11-12H,1,5H2,2-3H3
InChIKeyBJKCUZTXQYDFEO-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.23
Rot. Bonds2

About 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 22177561) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID22177561
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=CC1(O)C(CO)OC2OC(C)(C)OC21
InChIInChI=1S/C10H16O5/c1-4-10(12)6(5-11)13-8-7(10)14-9(2,3)15-8/h4,6-8,11-12H,1,5H2,2-3H3
InChIKeyBJKCUZTXQYDFEO-UHFFFAOYSA-N
XLogP-0.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 11426181
(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 15334390
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 12186301
(3aR,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 15658509
(2S,3R,4R,5R)-4-ethenyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 90805992
(1R)-1-[(3aR,5R,6R,6aR)-6-ethynyl-6-methoxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]prop-2-en-1-ol
CID 101560553
(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 134845233
[(3aS,6R,6aS)-2,2,3a-trimethyl-4-prop-2-enoxy-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 134938280
(1R)-1-[(3aR,5R,6R,6aR)-6-ethoxy-6-ethynyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]prop-2-en-1-ol
CID 135072034
(1R)-1-[(3aR,5R,6R,6aR)-6-ethynyl-6-(methoxymethoxy)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]prop-2-en-1-ol
CID 135072377
[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102203286
(3aR,5R,6R,6aR)-6-but-3-enyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 10243538

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 22177561) is 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is C=CC1(O)C(CO)OC2OC(C)(C)OC21.
What is the InChIKey of 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is BJKCUZTXQYDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-10(12)6(5-11)13-8-7(10)14-9(2,3)15-8/h4,6-8,11-12H,1,5H2,2-3H3.
What are the key properties of 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 216.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 22177561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).