CID 70059239

C18H33O2Si — CID 70059239

IUPAC—
SMILESC[Si](C)OCC1CC(=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C18H33O2Si/c1-17(2,3)14-6-9-18(10-7-14)11-8-16(19)12-15(18)13-20-21(4)5/h14-15H,6-13H2,1-5H3
InChIKeyLEMHPTVYHTVXSE-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.85
Rot. Bonds3

About CID 70059239

CID 70059239 (PubChem CID 70059239) has the molecular formula C18H33O2Si and a molecular weight of 309.55 g/mol.

Molecular Properties

Compound NameCID 70059239
PubChem CID70059239
Molecular FormulaC18H33O2Si
Molecular Weight309.55 g/mol
Exact Mass309.22
IUPAC Name—
SMILESC[Si](C)OCC1CC(=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C18H33O2Si/c1-17(2,3)14-6-9-18(10-7-14)11-8-16(19)12-15(18)13-20-21(4)5/h14-15H,6-13H2,1-5H3
InChIKeyLEMHPTVYHTVXSE-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.85
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 70059239?
The IUPAC name of CID 70059239 (CID 70059239) is not available.
What is the SMILES notation for CID 70059239?
The canonical SMILES for CID 70059239 is C[Si](C)OCC1CC(=O)CCC12CCC(C(C)(C)C)CC2.
What is the InChIKey of CID 70059239?
The InChIKey is LEMHPTVYHTVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O2Si/c1-17(2,3)14-6-9-18(10-7-14)11-8-16(19)12-15(18)13-20-21(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of CID 70059239?
CID 70059239 has a molecular weight of 309.55 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70059239 is sourced from PubChem (CID 70059239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).