hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane

C24H42N2O4Si2 — CID 90075778

IUPAChydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane
SMILESC[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@H](CC(C)(C)[Si](C)(C)O)[C@@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C24H42N2O4Si2/c1-17-12-18(20-10-11-25-16-22(20)26(27)28)13-19(14-23(2,3)31(6,7)29)21(17)15-24(4,5)32(8,9)30/h10-11,13,16-17,19,21,29-30H,12,14-15H2,1-9H3/t17-,19+,21+/m0/s1
InChIKeyUPSIMFAJGYKKNC-FBBABVLZSA-N
MW478.78 g/mol
LogP6.38
Rot. Bonds8

About hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane

hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 90075778) has the molecular formula C24H42N2O4Si2 and a molecular weight of 478.78 g/mol. Its IUPAC name is hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane
PubChem CID90075778
Molecular FormulaC24H42N2O4Si2
Molecular Weight478.78 g/mol
Exact Mass478.27
IUPAC Namehydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane
SMILESC[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@H](CC(C)(C)[Si](C)(C)O)[C@@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C24H42N2O4Si2/c1-17-12-18(20-10-11-25-16-22(20)26(27)28)13-19(14-23(2,3)31(6,7)29)21(17)15-24(4,5)32(8,9)30/h10-11,13,16-17,19,21,29-30H,12,14-15H2,1-9H3/t17-,19+,21+/m0/s1
InChIKeyUPSIMFAJGYKKNC-FBBABVLZSA-N
XLogP6.38
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.78
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane 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 hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane (CID 90075778) is hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane is C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@H](CC(C)(C)[Si](C)(C)O)[C@@H]1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is UPSIMFAJGYKKNC-FBBABVLZSA-N. The full InChI is InChI=1S/C24H42N2O4Si2/c1-17-12-18(20-10-11-25-16-22(20)26(27)28)13-19(14-23(2,3)31(6,7)29)21(17)15-24(4,5)32(8,9)30/h10-11,13,16-17,19,21,29-30H,12,14-15H2,1-9H3/t17-,19+,21+/m0/s1.
What are the key properties of hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane?
hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 478.78 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 90075778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).