CID 173405107

C5H13O3Si — CID 173405107

IUPAC—
SMILESCOCC([SiH2])(OC)OC
InChIInChI=1S/C5H13O3Si/c1-6-4-5(9,7-2)8-3/h4,9H2,1-3H3
InChIKeyJTMMITHQIHGJBU-UHFFFAOYSA-N
MW149.24 g/mol
LogP-0.79
Rot. Bonds4

About CID 173405107

CID 173405107 (PubChem CID 173405107) has the molecular formula C5H13O3Si and a molecular weight of 149.24 g/mol.

Molecular Properties

Compound NameCID 173405107
PubChem CID173405107
Molecular FormulaC5H13O3Si
Molecular Weight149.24 g/mol
Exact Mass149.06
IUPAC Name—
SMILESCOCC([SiH2])(OC)OC
InChIInChI=1S/C5H13O3Si/c1-6-4-5(9,7-2)8-3/h4,9H2,1-3H3
InChIKeyJTMMITHQIHGJBU-UHFFFAOYSA-N
XLogP-0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173405107?
The IUPAC name of CID 173405107 (CID 173405107) is not available.
What is the SMILES notation for CID 173405107?
The canonical SMILES for CID 173405107 is COCC([SiH2])(OC)OC.
What is the InChIKey of CID 173405107?
The InChIKey is JTMMITHQIHGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3Si/c1-6-4-5(9,7-2)8-3/h4,9H2,1-3H3.
What are the key properties of CID 173405107?
CID 173405107 has a molecular weight of 149.24 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173405107 is sourced from PubChem (CID 173405107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).