CID 67020957

C12H23O2Si — CID 67020957

IUPAC—
SMILESC[Si](C)OC1(C(C)(C)C)CCCCC1=O
InChIInChI=1S/C12H23O2Si/c1-11(2,3)12(14-15(4)5)9-7-6-8-10(12)13/h6-9H2,1-5H3
InChIKeyBESVKTWNWQXWCL-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.18
Rot. Bonds2

About CID 67020957

CID 67020957 (PubChem CID 67020957) has the molecular formula C12H23O2Si and a molecular weight of 227.40 g/mol.

Molecular Properties

Compound NameCID 67020957
PubChem CID67020957
Molecular FormulaC12H23O2Si
Molecular Weight227.40 g/mol
Exact Mass227.15
IUPAC Name—
SMILESC[Si](C)OC1(C(C)(C)C)CCCCC1=O
InChIInChI=1S/C12H23O2Si/c1-11(2,3)12(14-15(4)5)9-7-6-8-10(12)13/h6-9H2,1-5H3
InChIKeyBESVKTWNWQXWCL-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 67020957?
The IUPAC name of CID 67020957 (CID 67020957) is not available.
What is the SMILES notation for CID 67020957?
The canonical SMILES for CID 67020957 is C[Si](C)OC1(C(C)(C)C)CCCCC1=O.
What is the InChIKey of CID 67020957?
The InChIKey is BESVKTWNWQXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si/c1-11(2,3)12(14-15(4)5)9-7-6-8-10(12)13/h6-9H2,1-5H3.
What are the key properties of CID 67020957?
CID 67020957 has a molecular weight of 227.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67020957 is sourced from PubChem (CID 67020957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).