3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)

C70H137F3O19Si4 — CID 159606963

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)
SMILESCC(C)(C)OC(=O)C1CC2CCC1C2.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.COC(=O)C1CC2CCC1C2.O=C1CC2(CO1)CC1CCC2C1
InChIInChI=1S/C12H20O2.C11H17F3O.C10H14O2.C9H14O2.4C7H18O3Si/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;1-11-9(10)8-5-6-2-3-7(8)4-6;4*1-5-8-11(4,9-6-2)10-7-3/h8-10H,4-7H2,1-3H3;7-9,15H,2-6H2,1H3;7-8H,1-6H2;6-8H,2-5H2,1H3;4*5-7H2,1-4H3
InChIKeyMMEXEHFUXQZFKH-UHFFFAOYSA-N
MW1452.18 g/mol
LogP15.88
Rot. Bonds28

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) (PubChem CID 159606963) has the molecular formula C70H137F3O19Si4 and a molecular weight of 1452.18 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane).

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)
PubChem CID159606963
Molecular FormulaC70H137F3O19Si4
Molecular Weight1452.18 g/mol
Exact Mass1450.88
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)
SMILESCC(C)(C)OC(=O)C1CC2CCC1C2.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.COC(=O)C1CC2CCC1C2.O=C1CC2(CO1)CC1CCC2C1
InChIInChI=1S/C12H20O2.C11H17F3O.C10H14O2.C9H14O2.4C7H18O3Si/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;1-11-9(10)8-5-6-2-3-7(8)4-6;4*1-5-8-11(4,9-6-2)10-7-3/h8-10H,4-7H2,1-3H3;7-9,15H,2-6H2,1H3;7-8H,1-6H2;6-8H,2-5H2,1H3;4*5-7H2,1-4H3
InChIKeyMMEXEHFUXQZFKH-UHFFFAOYSA-N
XLogP15.88
TPSA209.89 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.18
LogP ≤ 515.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) 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 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) (CID 159606963) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane).
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) is CC(C)(C)OC(=O)C1CC2CCC1C2.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.CCO[Si](C)(OCC)OCC.COC(=O)C1CC2CCC1C2.O=C1CC2(CO1)CC1CCC2C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)?
The InChIKey is MMEXEHFUXQZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C11H17F3O.C10H14O2.C9H14O2.4C7H18O3Si/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;1-11-9(10)8-5-6-2-3-7(8)4-6;4*1-5-8-11(4,9-6-2)10-7-3/h8-10H,4-7H2,1-3H3;7-9,15H,2-6H2,1H3;7-8H,1-6H2;6-8H,2-5H2,1H3;4*5-7H2,1-4H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane)?
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) has a molecular weight of 1452.18 g/mol, XLogP of 15.88, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;methyl bicyclo[2.2.1]heptane-2-carboxylate;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tetrakis(triethoxy(methyl)silane) is sourced from PubChem (CID 159606963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).