CID 45052171

C8H14O2Si — CID 45052171

IUPAC—
SMILESCCC1CCC2OC2C1.O=[Si]
InChIInChI=1S/C8H14O.OSi/c1-2-6-3-4-7-8(5-6)9-7;1-2/h6-8H,2-5H2,1H3;
InChIKeyHMUALHQQXDWZQJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.46
Rot. Bonds1

About CID 45052171

CID 45052171 (PubChem CID 45052171) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol.

Molecular Properties

Compound NameCID 45052171
PubChem CID45052171
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name—
SMILESCCC1CCC2OC2C1.O=[Si]
InChIInChI=1S/C8H14O.OSi/c1-2-6-3-4-7-8(5-6)9-7;1-2/h6-8H,2-5H2,1H3;
InChIKeyHMUALHQQXDWZQJ-UHFFFAOYSA-N
XLogP1.46
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 45052171?
The IUPAC name of CID 45052171 (CID 45052171) is not available.
What is the SMILES notation for CID 45052171?
The canonical SMILES for CID 45052171 is CCC1CCC2OC2C1.O=[Si].
What is the InChIKey of CID 45052171?
The InChIKey is HMUALHQQXDWZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.OSi/c1-2-6-3-4-7-8(5-6)9-7;1-2/h6-8H,2-5H2,1H3;.
What are the key properties of CID 45052171?
CID 45052171 has a molecular weight of 170.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45052171 is sourced from PubChem (CID 45052171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).