tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate

C24H42O10 — CID 11260368

IUPACtert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@@H]([C@H](OCC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C24H42O10/c1-21(2,3)33-17(25)13-27-19(15-11-29-23(7,8)31-15)20(16-12-30-24(9,10)32-16)28-14-18(26)34-22(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-,19+,20+/m0/s1
InChIKeyVANNEJGDTWXZQP-XAMWDVODSA-N
MW490.59 g/mol
LogP2.74
Rot. Bonds9

About tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate

tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate (PubChem CID 11260368) has the molecular formula C24H42O10 and a molecular weight of 490.59 g/mol. Its IUPAC name is tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
PubChem CID11260368
Molecular FormulaC24H42O10
Molecular Weight490.59 g/mol
Exact Mass490.28
IUPAC Nametert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@@H]([C@H](OCC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C24H42O10/c1-21(2,3)33-17(25)13-27-19(15-11-29-23(7,8)31-15)20(16-12-30-24(9,10)32-16)28-14-18(26)34-22(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-,19+,20+/m0/s1
InChIKeyVANNEJGDTWXZQP-XAMWDVODSA-N
XLogP2.74
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
methyl (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11438503
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11186180
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
tert-butyl 3-(benzylamino)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 18465678
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 101453461
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
tert-butyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpent-4-enoate
CID 90334062
tert-butyl (2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypent-4-enoate
CID 86705860
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 101026431

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate (CID 11260368) is tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate is CC(C)(C)OC(=O)CO[C@@H]([C@H](OCC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate?
The InChIKey is VANNEJGDTWXZQP-XAMWDVODSA-N. The full InChI is InChI=1S/C24H42O10/c1-21(2,3)33-17(25)13-27-19(15-11-29-23(7,8)31-15)20(16-12-30-24(9,10)32-16)28-14-18(26)34-22(4,5)6/h15-16,19-20H,11-14H2,1-10H3/t15-,16-,19+,20+/m0/s1.
What are the key properties of tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate?
tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate has a molecular weight of 490.59 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate is sourced from PubChem (CID 11260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).