CID 174092443

C14H20BrO2Si — CID 174092443

IUPAC—
SMILESC[Si](OCC1Cc2cc(Br)ccc2O1)C(C)(C)C
InChIInChI=1S/C14H20BrO2Si/c1-14(2,3)18(4)16-9-12-8-10-7-11(15)5-6-13(10)17-12/h5-7,12H,8-9H2,1-4H3
InChIKeyWHHPTEJVFDZRDS-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.19
Rot. Bonds3

About CID 174092443

CID 174092443 (PubChem CID 174092443) has the molecular formula C14H20BrO2Si and a molecular weight of 328.30 g/mol.

Molecular Properties

Compound NameCID 174092443
PubChem CID174092443
Molecular FormulaC14H20BrO2Si
Molecular Weight328.30 g/mol
Exact Mass327.04
IUPAC Name—
SMILESC[Si](OCC1Cc2cc(Br)ccc2O1)C(C)(C)C
InChIInChI=1S/C14H20BrO2Si/c1-14(2,3)18(4)16-9-12-8-10-7-11(15)5-6-13(10)17-12/h5-7,12H,8-9H2,1-4H3
InChIKeyWHHPTEJVFDZRDS-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.19
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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tert-butyl N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of CID 174092443?
The IUPAC name of CID 174092443 (CID 174092443) is not available.
What is the SMILES notation for CID 174092443?
The canonical SMILES for CID 174092443 is C[Si](OCC1Cc2cc(Br)ccc2O1)C(C)(C)C.
What is the InChIKey of CID 174092443?
The InChIKey is WHHPTEJVFDZRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrO2Si/c1-14(2,3)18(4)16-9-12-8-10-7-11(15)5-6-13(10)17-12/h5-7,12H,8-9H2,1-4H3.
What are the key properties of CID 174092443?
CID 174092443 has a molecular weight of 328.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174092443 is sourced from PubChem (CID 174092443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).