CID 174852857

C14H23OSi — CID 174852857

IUPAC—
SMILESC=C[Si](C(C)C)C(C)C.Oc1ccccc1
InChIInChI=1S/C8H17Si.C6H6O/c1-6-9(7(2)3)8(4)5;7-6-4-2-1-3-5-6/h6-8H,1H2,2-5H3;1-5,7H
InChIKeyKLRPRLHREZHISI-UHFFFAOYSA-N
MW235.42 g/mol
LogP4.42
Rot. Bonds3

About CID 174852857

CID 174852857 (PubChem CID 174852857) has the molecular formula C14H23OSi and a molecular weight of 235.42 g/mol.

Molecular Properties

Compound NameCID 174852857
PubChem CID174852857
Molecular FormulaC14H23OSi
Molecular Weight235.42 g/mol
Exact Mass235.15
IUPAC Name—
SMILESC=C[Si](C(C)C)C(C)C.Oc1ccccc1
InChIInChI=1S/C8H17Si.C6H6O/c1-6-9(7(2)3)8(4)5;7-6-4-2-1-3-5-6/h6-8H,1H2,2-5H3;1-5,7H
InChIKeyKLRPRLHREZHISI-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
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 174852857?
The IUPAC name of CID 174852857 (CID 174852857) is not available.
What is the SMILES notation for CID 174852857?
The canonical SMILES for CID 174852857 is C=C[Si](C(C)C)C(C)C.Oc1ccccc1.
What is the InChIKey of CID 174852857?
The InChIKey is KLRPRLHREZHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Si.C6H6O/c1-6-9(7(2)3)8(4)5;7-6-4-2-1-3-5-6/h6-8H,1H2,2-5H3;1-5,7H.
What are the key properties of CID 174852857?
CID 174852857 has a molecular weight of 235.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174852857 is sourced from PubChem (CID 174852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).