trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate

C26H44O8 — CID 158452433

IUPACtrans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H]1[C@H]1COC(C)(C)O1.CC(C)(C)OC(=O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/2C13H22O4/c2*1-12(2,3)17-11(14)9-6-8(9)10-7-15-13(4,5)16-10/h2*8-10H,6-7H2,1-5H3/t8-,9-,10+;8-,9-,10-/m01/s1
InChIKeyHEDWPGAJEJAEKN-DWFNLOHKSA-N
MW484.63 g/mol
LogP4.23
Rot. Bonds4

About trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate

trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate (PubChem CID 158452433) has the molecular formula C26H44O8 and a molecular weight of 484.63 g/mol. Its IUPAC name is trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
PubChem CID158452433
Molecular FormulaC26H44O8
Molecular Weight484.63 g/mol
Exact Mass484.30
IUPAC Nametrans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H]1[C@H]1COC(C)(C)O1.CC(C)(C)OC(=O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/2C13H22O4/c2*1-12(2,3)17-11(14)9-6-8(9)10-7-15-13(4,5)16-10/h2*8-10H,6-7H2,1-5H3/t8-,9-,10+;8-,9-,10-/m01/s1
InChIKeyHEDWPGAJEJAEKN-DWFNLOHKSA-N
XLogP4.23
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
tert-butyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyrrole-1-carboxylate
CID 11369225
tert-butyl (3R,4S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(2-oxoethyl)piperidine-1-carboxylate
CID 87499126
tert-butyl (1R,2S,3R,4S,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethyl-1-hydroxy-8-oxabicyclo[3.2.1]octane-3-carboxylate
CID 15342728
cis-ethyl (1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexane-1-carboxylate
CID 10377713
tert-butyl (2S,3S,7S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-ethyl-3-hydroxy-6-oxocycloheptane-1-carboxylate
CID 102427486
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013
[(4aR,6S,7R,8aS)-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate
CID 11162449
[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyran-3-yl] acetate
CID 175882997

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate (CID 158452433) is trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@H]1[C@H]1COC(C)(C)O1.CC(C)(C)OC(=O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?
The InChIKey is HEDWPGAJEJAEKN-DWFNLOHKSA-N. The full InChI is InChI=1S/2C13H22O4/c2*1-12(2,3)17-11(14)9-6-8(9)10-7-15-13(4,5)16-10/h2*8-10H,6-7H2,1-5H3/t8-,9-,10+;8-,9-,10-/m01/s1.
What are the key properties of trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate?
trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate has a molecular weight of 484.63 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate;trans-tert-butyl (1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158452433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).