tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate

C19H30O7 — CID 163691557

IUPACtert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate
SMILESCC(C)[C@@]1(OC(=O)OC(C)(C)C)C=CC2(CC2OC(=O)OC(C)(C)C)O1
InChIInChI=1S/C19H30O7/c1-12(2)19(25-15(21)24-17(6,7)8)10-9-18(26-19)11-13(18)22-14(20)23-16(3,4)5/h9-10,12-13H,11H2,1-8H3/t13?,18?,19-/m1/s1
InChIKeyJTJUMFMVKYAWME-ARHKQHADSA-N
MW370.44 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate

tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate (PubChem CID 163691557) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate
PubChem CID163691557
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Nametert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate
SMILESCC(C)[C@@]1(OC(=O)OC(C)(C)C)C=CC2(CC2OC(=O)OC(C)(C)C)O1
InChIInChI=1S/C19H30O7/c1-12(2)19(25-15(21)24-17(6,7)8)10-9-18(26-19)11-13(18)22-14(20)23-16(3,4)5/h9-10,12-13H,11H2,1-8H3/t13?,18?,19-/m1/s1
InChIKeyJTJUMFMVKYAWME-ARHKQHADSA-N
XLogP4.34
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate?
The IUPAC name of tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate (CID 163691557) is tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate.
What is the SMILES notation for tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate?
The canonical SMILES for tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate is CC(C)[C@@]1(OC(=O)OC(C)(C)C)C=CC2(CC2OC(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate?
The InChIKey is JTJUMFMVKYAWME-ARHKQHADSA-N. The full InChI is InChI=1S/C19H30O7/c1-12(2)19(25-15(21)24-17(6,7)8)10-9-18(26-19)11-13(18)22-14(20)23-16(3,4)5/h9-10,12-13H,11H2,1-8H3/t13?,18?,19-/m1/s1.
What are the key properties of tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate?
tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate has a molecular weight of 370.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(5R)-2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-propan-2-yl-4-oxaspiro[2.4]hept-6-en-5-yl] carbonate is sourced from PubChem (CID 163691557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).