CID 86757866

C16H30O4Si — CID 86757866

IUPAC—
SMILESCCCCCC=C[C@H](O[Si]C(C)(C)C)[C@H](O)CC(=O)OC
InChIInChI=1S/C16H30O4Si/c1-6-7-8-9-10-11-14(20-21-16(2,3)4)13(17)12-15(18)19-5/h10-11,13-14,17H,6-9,12H2,1-5H3/t13-,14+/m1/s1
InChIKeyGPNLQKMKSOSUHK-KGLIPLIRSA-N
MW314.50 g/mol
LogP3.27
Rot. Bonds10

About CID 86757866

CID 86757866 (PubChem CID 86757866) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol.

Molecular Properties

Compound NameCID 86757866
PubChem CID86757866
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name—
SMILESCCCCCC=C[C@H](O[Si]C(C)(C)C)[C@H](O)CC(=O)OC
InChIInChI=1S/C16H30O4Si/c1-6-7-8-9-10-11-14(20-21-16(2,3)4)13(17)12-15(18)19-5/h10-11,13-14,17H,6-9,12H2,1-5H3/t13-,14+/m1/s1
InChIKeyGPNLQKMKSOSUHK-KGLIPLIRSA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 86757866?
The IUPAC name of CID 86757866 (CID 86757866) is not available.
What is the SMILES notation for CID 86757866?
The canonical SMILES for CID 86757866 is CCCCCC=C[C@H](O[Si]C(C)(C)C)[C@H](O)CC(=O)OC.
What is the InChIKey of CID 86757866?
The InChIKey is GPNLQKMKSOSUHK-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-6-7-8-9-10-11-14(20-21-16(2,3)4)13(17)12-15(18)19-5/h10-11,13-14,17H,6-9,12H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of CID 86757866?
CID 86757866 has a molecular weight of 314.50 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86757866 is sourced from PubChem (CID 86757866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).