tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate

C19H32O8 — CID 11395118

IUPACtert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate
SMILESCC(C)(C)OC(=O)CC1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H32O8/c1-17(2,3)27-13(20)8-14-23-15(11-9-21-18(4,5)25-11)16(24-14)12-10-22-19(6,7)26-12/h11-12,14-16H,8-10H2,1-7H3/t11-,12-,15-,16-/m1/s1
InChIKeyDUURNGIISPCFQN-CZPYZCIJSA-N
MW388.46 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate

tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate (PubChem CID 11395118) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate
PubChem CID11395118
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Nametert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate
SMILESCC(C)(C)OC(=O)CC1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H32O8/c1-17(2,3)27-13(20)8-14-23-15(11-9-21-18(4,5)25-11)16(24-14)12-10-22-19(6,7)26-12/h11-12,14-16H,8-10H2,1-7H3/t11-,12-,15-,16-/m1/s1
InChIKeyDUURNGIISPCFQN-CZPYZCIJSA-N
XLogP2.13
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, butanoate
CID 3066319
alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, tributanoate
CID 3079327
1,2,3,5,6-Penta-O-propanoyl-beta-D-glucofuranose
CID 10623828
[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate
CID 364051
beta-D-xylo-Hexofuranose, pentapropanoate, (5xi)-
CID 9868864
[(3aR,5R,6S,6aR)-2-methyl-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 5-fluoro-2-oxo-1,3-dioxane-5-carboxylate
CID 90145991
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-oxobutanoate
CID 10665120
[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
CID 11581061
[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxolan-2-yl]ethyl] acetate
CID 134972431
Hexf2Ac3Ac5Ac6Ac(?1-6)Hexf1Me2Ac3Ac5Ac
CID 134972460
[2-Propanoyloxy-2-[3,4,5-tri(propanoyloxy)oxolan-2-yl]ethyl] propanoate
CID 3625608
1,2,3,5,6-Penta-O-propanoyl-D-glucofuranose
CID 16216946

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate (CID 11395118) is tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate is CC(C)(C)OC(=O)CC1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate?
The InChIKey is DUURNGIISPCFQN-CZPYZCIJSA-N. The full InChI is InChI=1S/C19H32O8/c1-17(2,3)27-13(20)8-14-23-15(11-9-21-18(4,5)25-11)16(24-14)12-10-22-19(6,7)26-12/h11-12,14-16H,8-10H2,1-7H3/t11-,12-,15-,16-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate?
tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate has a molecular weight of 388.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,5R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]acetate is sourced from PubChem (CID 11395118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).