CID 164898393

C13H18OSi — CID 164898393

IUPAC—
SMILESCOc1ccccc1[Si]C1CCCCC1
InChIInChI=1S/C13H18OSi/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyMUUONFAYLFQYOA-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.78
Rot. Bonds3

About CID 164898393

CID 164898393 (PubChem CID 164898393) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol.

Molecular Properties

Compound NameCID 164898393
PubChem CID164898393
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name—
SMILESCOc1ccccc1[Si]C1CCCCC1
InChIInChI=1S/C13H18OSi/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyMUUONFAYLFQYOA-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.78
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

1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
CID 101108843
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
CID 171097752
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-[2-[cyclohexyl-(2-methoxyphenyl)arsanyl]ethyl]-(2-methoxyphenyl)arsane
CID 88738477
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355

Frequently Asked Questions

What is the IUPAC name of CID 164898393?
The IUPAC name of CID 164898393 (CID 164898393) is not available.
What is the SMILES notation for CID 164898393?
The canonical SMILES for CID 164898393 is COc1ccccc1[Si]C1CCCCC1.
What is the InChIKey of CID 164898393?
The InChIKey is MUUONFAYLFQYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of CID 164898393?
CID 164898393 has a molecular weight of 218.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164898393 is sourced from PubChem (CID 164898393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).