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

C11H20O4 — CID 134836278

IUPAC(4S,5R)-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+/m1/s1
InChIKeyNLGVYSPDEQIDOS-HLTSFMKQSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds1

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

(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 134836278) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane
PubChem CID134836278
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4S,5R)-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+/m1/s1
InChIKeyNLGVYSPDEQIDOS-HLTSFMKQSA-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

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

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Related Compounds

Methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside
CID 90028
2,2'-(Ethane-1,2-diyl)bis(2-methyl-1,3-dioxolane)
CID 317590
4,4'-[1,4-Butanediylbis(oxymethylene)]bis[1,3-dioxolan-2-one]
CID 85769323
2,3-Dimethyl-1,4-dioxaspiro[4.4]nonane
CID 221623
2-(2,5-Dimethoxyoxolan-2-yl)-1,3-dioxolane
CID 12770206
[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl carbonofluoridate
CID 135002809
2,2-Dimethyl-4-propyl-1,3-dioxolane
CID 14389108
(4S)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59972016
(2R,3R,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)oxolane
CID 89822483
(3aR,4R,6R,6aR)-6-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 118442029
4,4'-(Oxybis(methylene))bis(2-methoxy-1,3-dioxolane)
CID 134811508
(3aR,6R,6aR)-4-methoxy-2,2,6-trimethyltetrahydrofuro[3,4-d][1,3]dioxole
CID 13962475

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane (CID 134836278) is (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5R)-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 (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is NLGVYSPDEQIDOS-HLTSFMKQSA-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+/m1/s1.
What are the key properties of (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane?
(4S,5R)-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 (4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 134836278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).