CID 140756800

C37H51NO6Si — CID 140756800

IUPAC—
SMILESCC(C)(C)OC(=O)NC12CC3CC(C1)C1(OO[C@@]4(CCC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C4)O1)C(C3)C2
InChIInChI=1S/C37H51NO6Si/c1-33(2,3)40-32(39)38-35-22-26-20-27(23-35)37(28(21-26)24-35)42-36(43-44-37)19-13-14-29(25-36)41-45(34(4,5)6,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-18,26-29H,13-14,19-25H2,1-6H3,(H,38,39)/t26?,27?,28?,29-,35?,36-,37?/m1/s1
InChIKeyYBZCMVUOELSVJK-NTXHBRGQSA-N
MW633.90 g/mol
LogP6.98
Rot. Bonds5

About CID 140756800

CID 140756800 (PubChem CID 140756800) has the molecular formula C37H51NO6Si and a molecular weight of 633.90 g/mol.

Molecular Properties

Compound NameCID 140756800
PubChem CID140756800
Molecular FormulaC37H51NO6Si
Molecular Weight633.90 g/mol
Exact Mass633.35
IUPAC Name—
SMILESCC(C)(C)OC(=O)NC12CC3CC(C1)C1(OO[C@@]4(CCC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C4)O1)C(C3)C2
InChIInChI=1S/C37H51NO6Si/c1-33(2,3)40-32(39)38-35-22-26-20-27(23-35)37(28(21-26)24-35)42-36(43-44-37)19-13-14-29(25-36)41-45(34(4,5)6,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-18,26-29H,13-14,19-25H2,1-6H3,(H,38,39)/t26?,27?,28?,29-,35?,36-,37?/m1/s1
InChIKeyYBZCMVUOELSVJK-NTXHBRGQSA-N
XLogP6.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.90
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 140756800 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

CID 176589524
CID 176589524
CID 176589523
CID 176589523
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
tert-butyl 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 69241608
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808
tert-butyl N-[(4R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-formyl-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
CID 132570340
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935
1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 67300348
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
CID 11671194
1-[3-[tert-butyl(diphenyl)silyl]oxy-1-methylcyclopentyl]-2-isocyanoethanone
CID 171719073
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599

Frequently Asked Questions

What is the IUPAC name of CID 140756800?
The IUPAC name of CID 140756800 (CID 140756800) is not available.
What is the SMILES notation for CID 140756800?
The canonical SMILES for CID 140756800 is CC(C)(C)OC(=O)NC12CC3CC(C1)C1(OO[C@@]4(CCC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C4)O1)C(C3)C2.
What is the InChIKey of CID 140756800?
The InChIKey is YBZCMVUOELSVJK-NTXHBRGQSA-N. The full InChI is InChI=1S/C37H51NO6Si/c1-33(2,3)40-32(39)38-35-22-26-20-27(23-35)37(28(21-26)24-35)42-36(43-44-37)19-13-14-29(25-36)41-45(34(4,5)6,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-18,26-29H,13-14,19-25H2,1-6H3,(H,38,39)/t26?,27?,28?,29-,35?,36-,37?/m1/s1.
What are the key properties of CID 140756800?
CID 140756800 has a molecular weight of 633.90 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140756800 is sourced from PubChem (CID 140756800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).