CID 174707577

C12H17O2Si — CID 174707577

IUPAC—
SMILESCCOc1c(C)cc([Si])c(OCC)c1C
InChIInChI=1S/C12H17O2Si/c1-5-13-11-8(3)7-10(15)12(9(11)4)14-6-2/h7H,5-6H2,1-4H3
InChIKeyHFGDYKANIWCSIK-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.89
Rot. Bonds4

About CID 174707577

CID 174707577 (PubChem CID 174707577) has the molecular formula C12H17O2Si and a molecular weight of 221.35 g/mol.

Molecular Properties

Compound NameCID 174707577
PubChem CID174707577
Molecular FormulaC12H17O2Si
Molecular Weight221.35 g/mol
Exact Mass221.10
IUPAC Name—
SMILESCCOc1c(C)cc([Si])c(OCC)c1C
InChIInChI=1S/C12H17O2Si/c1-5-13-11-8(3)7-10(15)12(9(11)4)14-6-2/h7H,5-6H2,1-4H3
InChIKeyHFGDYKANIWCSIK-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
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CID 91657255
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
CID 90242969
CID 90242969
4-ethoxy-2,3,5-trimethyl-N-(2-methylbut-3-yn-2-yl)aniline
CID 18318086
ethane;2-ethoxy-1,3-dimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 174707577?
The IUPAC name of CID 174707577 (CID 174707577) is not available.
What is the SMILES notation for CID 174707577?
The canonical SMILES for CID 174707577 is CCOc1c(C)cc([Si])c(OCC)c1C.
What is the InChIKey of CID 174707577?
The InChIKey is HFGDYKANIWCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2Si/c1-5-13-11-8(3)7-10(15)12(9(11)4)14-6-2/h7H,5-6H2,1-4H3.
What are the key properties of CID 174707577?
CID 174707577 has a molecular weight of 221.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174707577 is sourced from PubChem (CID 174707577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).