CID 87515829

C17H26O4Si2 — CID 87515829

IUPAC—
SMILESCCc1ccc(OCCC(C)(C)C(O[Si]C)O[Si]C)c(C=O)c1
InChIInChI=1S/C17H26O4Si2/c1-6-13-7-8-15(14(11-13)12-18)19-10-9-17(2,3)16(20-22-4)21-23-5/h7-8,11-12,16H,6,9-10H2,1-5H3
InChIKeyAAKFIJSJSZBEHQ-UHFFFAOYSA-N
MW350.56 g/mol
LogP3.55
Rot. Bonds11

About CID 87515829

CID 87515829 (PubChem CID 87515829) has the molecular formula C17H26O4Si2 and a molecular weight of 350.56 g/mol.

Molecular Properties

Compound NameCID 87515829
PubChem CID87515829
Molecular FormulaC17H26O4Si2
Molecular Weight350.56 g/mol
Exact Mass350.14
IUPAC Name—
SMILESCCc1ccc(OCCC(C)(C)C(O[Si]C)O[Si]C)c(C=O)c1
InChIInChI=1S/C17H26O4Si2/c1-6-13-7-8-15(14(11-13)12-18)19-10-9-17(2,3)16(20-22-4)21-23-5/h7-8,11-12,16H,6,9-10H2,1-5H3
InChIKeyAAKFIJSJSZBEHQ-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 87515829 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

5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
CID 10849382
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
4-(4-ethyl-2-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256820
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
4-(2-formyl-4-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65252971
2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
CID 28514995
5-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 103866440
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055

Frequently Asked Questions

What is the IUPAC name of CID 87515829?
The IUPAC name of CID 87515829 (CID 87515829) is not available.
What is the SMILES notation for CID 87515829?
The canonical SMILES for CID 87515829 is CCc1ccc(OCCC(C)(C)C(O[Si]C)O[Si]C)c(C=O)c1.
What is the InChIKey of CID 87515829?
The InChIKey is AAKFIJSJSZBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4Si2/c1-6-13-7-8-15(14(11-13)12-18)19-10-9-17(2,3)16(20-22-4)21-23-5/h7-8,11-12,16H,6,9-10H2,1-5H3.
What are the key properties of CID 87515829?
CID 87515829 has a molecular weight of 350.56 g/mol, XLogP of 3.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87515829 is sourced from PubChem (CID 87515829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).