CID 68744068

C17H23O6Si — CID 68744068

IUPAC—
SMILESC=CCOC(=O)c1cccc(C(CC)[Si](OC)OC)c1C(=O)OC
InChIInChI=1S/C17H23O6Si/c1-6-11-23-16(18)13-10-8-9-12(15(13)17(19)20-3)14(7-2)24(21-4)22-5/h6,8-10,14H,1,7,11H2,2-5H3
InChIKeyLNASBSRJUQVMGY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.63
Rot. Bonds9

About CID 68744068

CID 68744068 (PubChem CID 68744068) has the molecular formula C17H23O6Si and a molecular weight of 351.45 g/mol.

Molecular Properties

Compound NameCID 68744068
PubChem CID68744068
Molecular FormulaC17H23O6Si
Molecular Weight351.45 g/mol
Exact Mass351.13
IUPAC Name—
SMILESC=CCOC(=O)c1cccc(C(CC)[Si](OC)OC)c1C(=O)OC
InChIInChI=1S/C17H23O6Si/c1-6-11-23-16(18)13-10-8-9-12(15(13)17(19)20-3)14(7-2)24(21-4)22-5/h6,8-10,14H,1,7,11H2,2-5H3
InChIKeyLNASBSRJUQVMGY-UHFFFAOYSA-N
XLogP2.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 68744068 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

bis(prop-2-enyl) benzene-1,2-dicarboxylate;1,2,3-tri(propan-2-yl)benzene
CID 66794304
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
methyl 2-[(1R)-1-aminobut-3-enyl]benzoate;hydrochloride
CID 171211058
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
methyl 2-(1-aminoprop-2-enyl)benzoate
CID 55273235
prop-2-enyl 2-methyl-3-nitrobenzoate
CID 54493532
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
methyl 2-fluoro-3-(2-oxo-2-prop-2-enoxyethyl)benzoate
CID 58345874
prop-2-enyl 2-pentylsulfanylbenzoate
CID 70399381

Frequently Asked Questions

What is the IUPAC name of CID 68744068?
The IUPAC name of CID 68744068 (CID 68744068) is not available.
What is the SMILES notation for CID 68744068?
The canonical SMILES for CID 68744068 is C=CCOC(=O)c1cccc(C(CC)[Si](OC)OC)c1C(=O)OC.
What is the InChIKey of CID 68744068?
The InChIKey is LNASBSRJUQVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23O6Si/c1-6-11-23-16(18)13-10-8-9-12(15(13)17(19)20-3)14(7-2)24(21-4)22-5/h6,8-10,14H,1,7,11H2,2-5H3.
What are the key properties of CID 68744068?
CID 68744068 has a molecular weight of 351.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68744068 is sourced from PubChem (CID 68744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).