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

C11H20O4 — CID 134858564

IUPAC(4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h7-9H,6H2,1-5H3/t7-,8+,9+/m0/s1
InChIKeyNLGVYSPDEQIDOS-DJLDLDEBSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds1

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

(4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 134858564) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane
PubChem CID134858564
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h7-9H,6H2,1-5H3/t7-,8+,9+/m0/s1
InChIKeyNLGVYSPDEQIDOS-DJLDLDEBSA-N
XLogP1.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane (CID 134858564) is (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane is C[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is NLGVYSPDEQIDOS-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h7-9H,6H2,1-5H3/t7-,8+,9+/m0/s1.
What are the key properties of (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
(4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane has a molecular weight of 216.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 134858564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).