CID 178115933

C30H43O3Si — CID 178115933

IUPAC—
SMILESCC(C)(C)OC(=O)CCC1CCC(CO[Si](c2ccccc2)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H43O3Si/c1-29(2,3)25-17-19-27(20-18-25)34(26-10-8-7-9-11-26)32-22-24-14-12-23(13-15-24)16-21-28(31)33-30(4,5)6/h7-11,17-20,23-24H,12-16,21-22H2,1-6H3
InChIKeyGPQACJDUEHTPOO-UHFFFAOYSA-N
MW479.76 g/mol
LogP6.03
Rot. Bonds8

About CID 178115933

CID 178115933 (PubChem CID 178115933) has the molecular formula C30H43O3Si and a molecular weight of 479.76 g/mol.

Molecular Properties

Compound NameCID 178115933
PubChem CID178115933
Molecular FormulaC30H43O3Si
Molecular Weight479.76 g/mol
Exact Mass479.30
IUPAC Name—
SMILESCC(C)(C)OC(=O)CCC1CCC(CO[Si](c2ccccc2)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C30H43O3Si/c1-29(2,3)25-17-19-27(20-18-25)34(26-10-8-7-9-11-26)32-22-24-14-12-23(13-15-24)16-21-28(31)33-30(4,5)6/h7-11,17-20,23-24H,12-16,21-22H2,1-6H3
InChIKeyGPQACJDUEHTPOO-UHFFFAOYSA-N
XLogP6.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.76
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 178115933 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 156858568
CID 156858568
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
tert-butyl 3-(3-methylidenecyclobutyl)propanoate
CID 159592323
tert-butyl 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 172638936
tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate
CID 141272061
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]cyclohexyl]propan-1-one
CID 118329134
CID 176654663
CID 176654663
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
tert-butyl 3-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanoate
CID 147711926
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
tert-butyl 6-amino-5-methyl-5-phenylhexanoate
CID 153407915
tert-butyl 3-[3-(2-methoxyphenyl)cyclohept-3-en-1-yl]propanoate
CID 123419260

Frequently Asked Questions

What is the IUPAC name of CID 178115933?
The IUPAC name of CID 178115933 (CID 178115933) is not available.
What is the SMILES notation for CID 178115933?
The canonical SMILES for CID 178115933 is CC(C)(C)OC(=O)CCC1CCC(CO[Si](c2ccccc2)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of CID 178115933?
The InChIKey is GPQACJDUEHTPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43O3Si/c1-29(2,3)25-17-19-27(20-18-25)34(26-10-8-7-9-11-26)32-22-24-14-12-23(13-15-24)16-21-28(31)33-30(4,5)6/h7-11,17-20,23-24H,12-16,21-22H2,1-6H3.
What are the key properties of CID 178115933?
CID 178115933 has a molecular weight of 479.76 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178115933 is sourced from PubChem (CID 178115933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).