[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

C9H14O4 — CID 11735583

IUPAC[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO
InChIInChI=1S/C9H14O4/c1-5-6(4-10)11-8-7(5)12-9(2,3)13-8/h6-8,10H,1,4H2,2-3H3/t6-,7-,8-/m1/s1
InChIKeyOLCIZLOAWWJWJM-BWZBUEFSSA-N
MW186.21 g/mol
LogP0.41
Rot. Bonds1

About [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 11735583) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID11735583
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO
InChIInChI=1S/C9H14O4/c1-5-6(4-10)11-8-7(5)12-9(2,3)13-8/h6-8,10H,1,4H2,2-3H3/t6-,7-,8-/m1/s1
InChIKeyOLCIZLOAWWJWJM-BWZBUEFSSA-N
XLogP0.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (CID 11735583) is [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is C=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO.
What is the InChIKey of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is OLCIZLOAWWJWJM-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H14O4/c1-5-6(4-10)11-8-7(5)12-9(2,3)13-8/h6-8,10H,1,4H2,2-3H3/t6-,7-,8-/m1/s1.
What are the key properties of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 186.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 11735583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).