CID 70069978

C17H31O2Si — CID 70069978

IUPAC—
SMILESC[Si](C)OC1CC(=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C17H31O2Si/c1-16(2,3)13-6-9-17(10-7-13)11-8-14(18)12-15(17)19-20(4)5/h13,15H,6-12H2,1-5H3
InChIKeyIDYHGMLWBDMWEJ-UHFFFAOYSA-N
MW295.52 g/mol
LogP4.60
Rot. Bonds2

About CID 70069978

CID 70069978 (PubChem CID 70069978) has the molecular formula C17H31O2Si and a molecular weight of 295.52 g/mol.

Molecular Properties

Compound NameCID 70069978
PubChem CID70069978
Molecular FormulaC17H31O2Si
Molecular Weight295.52 g/mol
Exact Mass295.21
IUPAC Name—
SMILESC[Si](C)OC1CC(=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C17H31O2Si/c1-16(2,3)13-6-9-17(10-7-13)11-8-14(18)12-15(17)19-20(4)5/h13,15H,6-12H2,1-5H3
InChIKeyIDYHGMLWBDMWEJ-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 54.60
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 70069978?
The IUPAC name of CID 70069978 (CID 70069978) is not available.
What is the SMILES notation for CID 70069978?
The canonical SMILES for CID 70069978 is C[Si](C)OC1CC(=O)CCC12CCC(C(C)(C)C)CC2.
What is the InChIKey of CID 70069978?
The InChIKey is IDYHGMLWBDMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O2Si/c1-16(2,3)13-6-9-17(10-7-13)11-8-14(18)12-15(17)19-20(4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of CID 70069978?
CID 70069978 has a molecular weight of 295.52 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70069978 is sourced from PubChem (CID 70069978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).