[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane

C27H36N2O6Si — CID 101227102

IUPAC[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C12C[C@@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C27H36N2O6Si/c1-17(2)36(18(3)4,19(5)6)27-15-24(20-7-11-22(12-8-20)28(30)31)34-26(27)35-25(16-27)21-9-13-23(14-10-21)29(32)33/h7-14,17-19,24-26H,15-16H2,1-6H3/t24-,25+,26?,27?
InChIKeyNFLGXZFVRQZGFB-HTTSFZEZSA-N
MW512.68 g/mol
LogP7.87
Rot. Bonds8

About [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane

[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane (PubChem CID 101227102) has the molecular formula C27H36N2O6Si and a molecular weight of 512.68 g/mol. Its IUPAC name is [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane
PubChem CID101227102
Molecular FormulaC27H36N2O6Si
Molecular Weight512.68 g/mol
Exact Mass512.23
IUPAC Name[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C12C[C@@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C27H36N2O6Si/c1-17(2)36(18(3)4,19(5)6)27-15-24(20-7-11-22(12-8-20)28(30)31)34-26(27)35-25(16-27)21-9-13-23(14-10-21)29(32)33/h7-14,17-19,24-26H,15-16H2,1-6H3/t24-,25+,26?,27?
InChIKeyNFLGXZFVRQZGFB-HTTSFZEZSA-N
XLogP7.87
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane 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

[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
CID 11753648
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657
2-(4-nitrophenyl)-3-propan-2-yloxirane
CID 175233760
3,3-dimethyl-2-(4-nitrophenyl)-4-propan-2-yloxetane
CID 139990623
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
6,6-dimethyl-2-(4-nitrophenyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 13416112
methyl (5S)-3-hydroxy-5-(4-nitrophenyl)dioxolane-3-carboxylate
CID 135000813
6-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
CID 72760820
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane (CID 101227102) is [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)C12C[C@@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2.
What is the InChIKey of [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane?
The InChIKey is NFLGXZFVRQZGFB-HTTSFZEZSA-N. The full InChI is InChI=1S/C27H36N2O6Si/c1-17(2)36(18(3)4,19(5)6)27-15-24(20-7-11-22(12-8-20)28(30)31)34-26(27)35-25(16-27)21-9-13-23(14-10-21)29(32)33/h7-14,17-19,24-26H,15-16H2,1-6H3/t24-,25+,26?,27?.
What are the key properties of [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane?
[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane has a molecular weight of 512.68 g/mol, XLogP of 7.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101227102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).