CID 173302070

C8H25BF3OSi — CID 173302070

IUPAC
SMILESCCOCC.CC[SiH2]CC.F.F.F.[B]
InChIInChI=1S/C4H10O.C4H12Si.B.3FH/c2*1-3-5-4-2;;;;/h3-4H2,1-2H3;3-5H2,1-2H3;;3*1H
InChIKeyDDCZKYYUUSZWFJ-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.15
Rot. Bonds4

About CID 173302070

CID 173302070 (PubChem CID 173302070) has the molecular formula C8H25BF3OSi and a molecular weight of 233.18 g/mol.

Molecular Properties

Compound NameCID 173302070
PubChem CID173302070
Molecular FormulaC8H25BF3OSi
Molecular Weight233.18 g/mol
Exact Mass233.17
IUPAC Name
SMILESCCOCC.CC[SiH2]CC.F.F.F.[B]
InChIInChI=1S/C4H10O.C4H12Si.B.3FH/c2*1-3-5-4-2;;;;/h3-4H2,1-2H3;3-5H2,1-2H3;;3*1H
InChIKeyDDCZKYYUUSZWFJ-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.15
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 173302070?
The IUPAC name of CID 173302070 (CID 173302070) is not available.
What is the SMILES notation for CID 173302070?
The canonical SMILES for CID 173302070 is CCOCC.CC[SiH2]CC.F.F.F.[B].
What is the InChIKey of CID 173302070?
The InChIKey is DDCZKYYUUSZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H12Si.B.3FH/c2*1-3-5-4-2;;;;/h3-4H2,1-2H3;3-5H2,1-2H3;;3*1H.
What are the key properties of CID 173302070?
CID 173302070 has a molecular weight of 233.18 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173302070 is sourced from PubChem (CID 173302070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).