CID 18796144

C14H20BrOSi — CID 18796144

IUPAC—
SMILESCc1cc(Br)c(CCO[Si])c(C)c1C(C)(C)C
InChIInChI=1S/C14H20BrOSi/c1-9-8-12(15)11(6-7-16-17)10(2)13(9)14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNOGOGYPJKRWWSZ-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.01
Rot. Bonds3

About CID 18796144

CID 18796144 (PubChem CID 18796144) has the molecular formula C14H20BrOSi and a molecular weight of 312.30 g/mol.

Molecular Properties

Compound NameCID 18796144
PubChem CID18796144
Molecular FormulaC14H20BrOSi
Molecular Weight312.30 g/mol
Exact Mass311.05
IUPAC Name—
SMILESCc1cc(Br)c(CCO[Si])c(C)c1C(C)(C)C
InChIInChI=1S/C14H20BrOSi/c1-9-8-12(15)11(6-7-16-17)10(2)13(9)14(3,4)5/h8H,6-7H2,1-5H3
InChIKeyNOGOGYPJKRWWSZ-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18796144?
The IUPAC name of CID 18796144 (CID 18796144) is not available.
What is the SMILES notation for CID 18796144?
The canonical SMILES for CID 18796144 is Cc1cc(Br)c(CCO[Si])c(C)c1C(C)(C)C.
What is the InChIKey of CID 18796144?
The InChIKey is NOGOGYPJKRWWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrOSi/c1-9-8-12(15)11(6-7-16-17)10(2)13(9)14(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of CID 18796144?
CID 18796144 has a molecular weight of 312.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18796144 is sourced from PubChem (CID 18796144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).