CID 68901878

C15H27IOSi — CID 68901878

IUPAC—
SMILESIC[Si]OCC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27IOSi/c16-12-18-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyTWJNZRBKRDSXGW-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.79
Rot. Bonds6

About CID 68901878

CID 68901878 (PubChem CID 68901878) has the molecular formula C15H27IOSi and a molecular weight of 378.37 g/mol.

Molecular Properties

Compound NameCID 68901878
PubChem CID68901878
Molecular FormulaC15H27IOSi
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Name—
SMILESIC[Si]OCC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27IOSi/c16-12-18-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyTWJNZRBKRDSXGW-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 68901878?
The IUPAC name of CID 68901878 (CID 68901878) is not available.
What is the SMILES notation for CID 68901878?
The canonical SMILES for CID 68901878 is IC[Si]OCC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of CID 68901878?
The InChIKey is TWJNZRBKRDSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27IOSi/c16-12-18-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-15H,1-12H2.
What are the key properties of CID 68901878?
CID 68901878 has a molecular weight of 378.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68901878 is sourced from PubChem (CID 68901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).