[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol

C12H20O5 — CID 71697895

IUPAC[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol
SMILESC=C1O[C@@H](OC(C)C)[C@@H]2OC(C)(C)O[C@]12CO
InChIInChI=1S/C12H20O5/c1-7(2)14-10-9-12(6-13,8(3)15-10)17-11(4,5)16-9/h7,9-10,13H,3,6H2,1-2,4-5H3/t9-,10+,12+/m0/s1
InChIKeyRCIDMVLUOCFMLX-HOSYDEDBSA-N
MW244.29 g/mol
LogP1.16
Rot. Bonds3

About [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol

[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol (PubChem CID 71697895) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol
PubChem CID71697895
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol
SMILESC=C1O[C@@H](OC(C)C)[C@@H]2OC(C)(C)O[C@]12CO
InChIInChI=1S/C12H20O5/c1-7(2)14-10-9-12(6-13,8(3)15-10)17-11(4,5)16-9/h7,9-10,13H,3,6H2,1-2,4-5H3/t9-,10+,12+/m0/s1
InChIKeyRCIDMVLUOCFMLX-HOSYDEDBSA-N
XLogP1.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol?
The IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol (CID 71697895) is [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol.
What is the SMILES notation for [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol?
The canonical SMILES for [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol is C=C1O[C@@H](OC(C)C)[C@@H]2OC(C)(C)O[C@]12CO.
What is the InChIKey of [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol?
The InChIKey is RCIDMVLUOCFMLX-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H20O5/c1-7(2)14-10-9-12(6-13,8(3)15-10)17-11(4,5)16-9/h7,9-10,13H,3,6H2,1-2,4-5H3/t9-,10+,12+/m0/s1.
What are the key properties of [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol?
[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol is sourced from PubChem (CID 71697895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).