CID 67791687

C12H18BrOSi — CID 67791687

IUPAC—
SMILESC[Si](C)C(C)(C)COc1ccccc1Br
InChIInChI=1S/C12H18BrOSi/c1-12(2,15(3)4)9-14-11-8-6-5-7-10(11)13/h5-8H,9H2,1-4H3
InChIKeyXOXRQNSIMVAQNP-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.36
Rot. Bonds4

About CID 67791687

CID 67791687 (PubChem CID 67791687) has the molecular formula C12H18BrOSi and a molecular weight of 286.26 g/mol.

Molecular Properties

Compound NameCID 67791687
PubChem CID67791687
Molecular FormulaC12H18BrOSi
Molecular Weight286.26 g/mol
Exact Mass285.03
IUPAC Name—
SMILESC[Si](C)C(C)(C)COc1ccccc1Br
InChIInChI=1S/C12H18BrOSi/c1-12(2,15(3)4)9-14-11-8-6-5-7-10(11)13/h5-8H,9H2,1-4H3
InChIKeyXOXRQNSIMVAQNP-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.36
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

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N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
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CID 174483797
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CID 91232598
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366
4-(2-bromophenoxy)-2,2-dimethylbutanenitrile
CID 65253439
1-bromo-2-(butoxymethoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 67791687?
The IUPAC name of CID 67791687 (CID 67791687) is not available.
What is the SMILES notation for CID 67791687?
The canonical SMILES for CID 67791687 is C[Si](C)C(C)(C)COc1ccccc1Br.
What is the InChIKey of CID 67791687?
The InChIKey is XOXRQNSIMVAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrOSi/c1-12(2,15(3)4)9-14-11-8-6-5-7-10(11)13/h5-8H,9H2,1-4H3.
What are the key properties of CID 67791687?
CID 67791687 has a molecular weight of 286.26 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67791687 is sourced from PubChem (CID 67791687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).