[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol

C12H22O5 — CID 22887044

IUPAC[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C12H22O5/c1-7-9(16-11(2,3)14-7)10-8(6-13)15-12(4,5)17-10/h7-10,13H,6H2,1-5H3/t7-,8+,9+,10-/m0/s1
InChIKeyNYRAALXXZIFOQZ-JLIMGVALSA-N
MW246.30 g/mol
LogP1.04
Rot. Bonds2

About [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol

[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol (PubChem CID 22887044) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
PubChem CID22887044
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C12H22O5/c1-7-9(16-11(2,3)14-7)10-8(6-13)15-12(4,5)17-10/h7-10,13H,6H2,1-5H3/t7-,8+,9+,10-/m0/s1
InChIKeyNYRAALXXZIFOQZ-JLIMGVALSA-N
XLogP1.04
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol (CID 22887044) is [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol is C[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1CO.
What is the InChIKey of [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is NYRAALXXZIFOQZ-JLIMGVALSA-N. The full InChI is InChI=1S/C12H22O5/c1-7-9(16-11(2,3)14-7)10-8(6-13)15-12(4,5)17-10/h7-10,13H,6H2,1-5H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol?
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 246.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 22887044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).