CID 18616635

C12H23O3Si — CID 18616635

IUPAC—
SMILESC[Si](C)OC(C1CC(=O)CCO1)C(C)(C)C
InChIInChI=1S/C12H23O3Si/c1-12(2,3)11(15-16(4)5)10-8-9(13)6-7-14-10/h10-11H,6-8H2,1-5H3
InChIKeyPAMUEZOZDRKGKX-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.42
Rot. Bonds3

About CID 18616635

CID 18616635 (PubChem CID 18616635) has the molecular formula C12H23O3Si and a molecular weight of 243.40 g/mol.

Molecular Properties

Compound NameCID 18616635
PubChem CID18616635
Molecular FormulaC12H23O3Si
Molecular Weight243.40 g/mol
Exact Mass243.14
IUPAC Name—
SMILESC[Si](C)OC(C1CC(=O)CCO1)C(C)(C)C
InChIInChI=1S/C12H23O3Si/c1-12(2,3)11(15-16(4)5)10-8-9(13)6-7-14-10/h10-11H,6-8H2,1-5H3
InChIKeyPAMUEZOZDRKGKX-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 18616635?
The IUPAC name of CID 18616635 (CID 18616635) is not available.
What is the SMILES notation for CID 18616635?
The canonical SMILES for CID 18616635 is C[Si](C)OC(C1CC(=O)CCO1)C(C)(C)C.
What is the InChIKey of CID 18616635?
The InChIKey is PAMUEZOZDRKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3Si/c1-12(2,3)11(15-16(4)5)10-8-9(13)6-7-14-10/h10-11H,6-8H2,1-5H3.
What are the key properties of CID 18616635?
CID 18616635 has a molecular weight of 243.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18616635 is sourced from PubChem (CID 18616635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).