(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C13H20O5 — CID 138975629

IUPAC(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESC[C@H]1CC/C(=C/[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C13H20O5/c1-7-4-5-8(15-7)6-9-10(14)11-12(16-9)18-13(2,3)17-11/h6-7,9-12,14H,4-5H2,1-3H3/b8-6-/t7-,9+,10-,11+,12+/m0/s1
InChIKeyUHQDXAWHVCHPLG-BSRJSUDKSA-N
MW256.30 g/mol
LogP1.31
Rot. Bonds1

About (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 138975629) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID138975629
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESC[C@H]1CC/C(=C/[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1
InChIInChI=1S/C13H20O5/c1-7-4-5-8(15-7)6-9-10(14)11-12(16-9)18-13(2,3)17-11/h6-7,9-12,14H,4-5H2,1-3H3/b8-6-/t7-,9+,10-,11+,12+/m0/s1
InChIKeyUHQDXAWHVCHPLG-BSRJSUDKSA-N
XLogP1.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 138975629) is (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is C[C@H]1CC/C(=C/[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1.
What is the InChIKey of (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is UHQDXAWHVCHPLG-BSRJSUDKSA-N. The full InChI is InChI=1S/C13H20O5/c1-7-4-5-8(15-7)6-9-10(14)11-12(16-9)18-13(2,3)17-11/h6-7,9-12,14H,4-5H2,1-3H3/b8-6-/t7-,9+,10-,11+,12+/m0/s1.
What are the key properties of (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 256.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2,2-dimethyl-5-[(Z)-[(5S)-5-methyloxolan-2-ylidene]methyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 138975629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).