CID 174694459

C12H17OSi — CID 174694459

IUPAC—
SMILESCc1cc(C)c([Si])c(OCC(C)C)c1
InChIInChI=1S/C12H17OSi/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14/h5-6,8H,7H2,1-4H3
InChIKeyILGKXLVUTLTGAU-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.13
Rot. Bonds3

About CID 174694459

CID 174694459 (PubChem CID 174694459) has the molecular formula C12H17OSi and a molecular weight of 205.35 g/mol.

Molecular Properties

Compound NameCID 174694459
PubChem CID174694459
Molecular FormulaC12H17OSi
Molecular Weight205.35 g/mol
Exact Mass205.10
IUPAC Name—
SMILESCc1cc(C)c([Si])c(OCC(C)C)c1
InChIInChI=1S/C12H17OSi/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14/h5-6,8H,7H2,1-4H3
InChIKeyILGKXLVUTLTGAU-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-(2-methylpropoxy)phenol
CID 171479386
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
4-methyl-2-(2-methylpropoxy)benzonitrile
CID 62302468
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
CID 45091606
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283

Frequently Asked Questions

What is the IUPAC name of CID 174694459?
The IUPAC name of CID 174694459 (CID 174694459) is not available.
What is the SMILES notation for CID 174694459?
The canonical SMILES for CID 174694459 is Cc1cc(C)c([Si])c(OCC(C)C)c1.
What is the InChIKey of CID 174694459?
The InChIKey is ILGKXLVUTLTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17OSi/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14/h5-6,8H,7H2,1-4H3.
What are the key properties of CID 174694459?
CID 174694459 has a molecular weight of 205.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174694459 is sourced from PubChem (CID 174694459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).