CID 70193302

C17H25O4Si — CID 70193302

IUPAC—
SMILESC=CC(=O)OC(CCC)c1ccccc1[Si](OCC)OCC
InChIInChI=1S/C17H25O4Si/c1-5-11-15(21-17(18)6-2)14-12-9-10-13-16(14)22(19-7-3)20-8-4/h6,9-10,12-13,15H,2,5,7-8,11H2,1,3-4H3
InChIKeySFLLOMVYIAGGRE-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.03
Rot. Bonds10

About CID 70193302

CID 70193302 (PubChem CID 70193302) has the molecular formula C17H25O4Si and a molecular weight of 321.47 g/mol.

Molecular Properties

Compound NameCID 70193302
PubChem CID70193302
Molecular FormulaC17H25O4Si
Molecular Weight321.47 g/mol
Exact Mass321.15
IUPAC Name—
SMILESC=CC(=O)OC(CCC)c1ccccc1[Si](OCC)OCC
InChIInChI=1S/C17H25O4Si/c1-5-11-15(21-17(18)6-2)14-12-9-10-13-16(14)22(19-7-3)20-8-4/h6,9-10,12-13,15H,2,5,7-8,11H2,1,3-4H3
InChIKeySFLLOMVYIAGGRE-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)hexyl prop-2-enoate
CID 70261275
1-(2-chloro-3-pyridinyl)dodecyl prop-2-enoate
CID 175037946
1-(4-hydroxyphenyl)hexyl prop-2-enoate
CID 163283433
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
[1-(dimethylamino)-1-phenylpentan-2-yl] prop-2-enoate;hydrochloride
CID 175094010
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
1-(furan-2-yl)propyl prop-2-enoate
CID 140979889
1-(1,4,9,10-tetraoxoanthracen-2-yl)butyl acetate
CID 10760435

Frequently Asked Questions

What is the IUPAC name of CID 70193302?
The IUPAC name of CID 70193302 (CID 70193302) is not available.
What is the SMILES notation for CID 70193302?
The canonical SMILES for CID 70193302 is C=CC(=O)OC(CCC)c1ccccc1[Si](OCC)OCC.
What is the InChIKey of CID 70193302?
The InChIKey is SFLLOMVYIAGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O4Si/c1-5-11-15(21-17(18)6-2)14-12-9-10-13-16(14)22(19-7-3)20-8-4/h6,9-10,12-13,15H,2,5,7-8,11H2,1,3-4H3.
What are the key properties of CID 70193302?
CID 70193302 has a molecular weight of 321.47 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70193302 is sourced from PubChem (CID 70193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).