CID 19385870

C12H23O2Si — CID 19385870

IUPAC—
SMILESC=C(C)C(C)OC(CC)[Si]1CCCCO1
InChIInChI=1S/C12H23O2Si/c1-5-12(14-11(4)10(2)3)15-9-7-6-8-13-15/h11-12H,2,5-9H2,1,3-4H3
InChIKeyUBWLVGQHSFNBPY-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.09
Rot. Bonds5

About CID 19385870

CID 19385870 (PubChem CID 19385870) has the molecular formula C12H23O2Si and a molecular weight of 227.40 g/mol.

Molecular Properties

Compound NameCID 19385870
PubChem CID19385870
Molecular FormulaC12H23O2Si
Molecular Weight227.40 g/mol
Exact Mass227.15
IUPAC Name—
SMILESC=C(C)C(C)OC(CC)[Si]1CCCCO1
InChIInChI=1S/C12H23O2Si/c1-5-12(14-11(4)10(2)3)15-9-7-6-8-13-15/h11-12H,2,5-9H2,1,3-4H3
InChIKeyUBWLVGQHSFNBPY-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19385870?
The IUPAC name of CID 19385870 (CID 19385870) is not available.
What is the SMILES notation for CID 19385870?
The canonical SMILES for CID 19385870 is C=C(C)C(C)OC(CC)[Si]1CCCCO1.
What is the InChIKey of CID 19385870?
The InChIKey is UBWLVGQHSFNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si/c1-5-12(14-11(4)10(2)3)15-9-7-6-8-13-15/h11-12H,2,5-9H2,1,3-4H3.
What are the key properties of CID 19385870?
CID 19385870 has a molecular weight of 227.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19385870 is sourced from PubChem (CID 19385870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).