CID 57155170

C9H18O2Si — CID 57155170

IUPAC—
SMILESC=CC[Si]CC(OCC)OCC
InChIInChI=1S/C9H18O2Si/c1-4-7-12-8-9(10-5-2)11-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyGAKXZTPCXRCSPI-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.11
Rot. Bonds8

About CID 57155170

CID 57155170 (PubChem CID 57155170) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol.

Molecular Properties

Compound NameCID 57155170
PubChem CID57155170
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name—
SMILESC=CC[Si]CC(OCC)OCC
InChIInChI=1S/C9H18O2Si/c1-4-7-12-8-9(10-5-2)11-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyGAKXZTPCXRCSPI-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57155170?
The IUPAC name of CID 57155170 (CID 57155170) is not available.
What is the SMILES notation for CID 57155170?
The canonical SMILES for CID 57155170 is C=CC[Si]CC(OCC)OCC.
What is the InChIKey of CID 57155170?
The InChIKey is GAKXZTPCXRCSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-4-7-12-8-9(10-5-2)11-6-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of CID 57155170?
CID 57155170 has a molecular weight of 186.33 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57155170 is sourced from PubChem (CID 57155170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).