hexadecylcyclotetrasiloxane

C16H33O4Si4 — CID 171771447

IUPAC—
SMILESCCCCCCCCCCCCCCCC[Si]1O[Si]O[Si]O[Si]O1
InChIInChI=1S/C16H33O4Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-19-22-17-21-18-23-20-24/h2-16H2,1H3
InChIKeyFGHBODAMDBHWOI-UHFFFAOYSA-N
MW401.78 g/mol
LogP4.64
Rot. Bonds15

About hexadecylcyclotetrasiloxane

hexadecylcyclotetrasiloxane (PubChem CID 171771447) has the molecular formula C16H33O4Si4 and a molecular weight of 401.78 g/mol.

Molecular Properties

Compound Namehexadecylcyclotetrasiloxane
PubChem CID171771447
Molecular FormulaC16H33O4Si4
Molecular Weight401.78 g/mol
Exact Mass401.15
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC[Si]1O[Si]O[Si]O[Si]O1
InChIInChI=1S/C16H33O4Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-19-22-17-21-18-23-20-24/h2-16H2,1H3
InChIKeyFGHBODAMDBHWOI-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadecylcyclotetrasiloxane?
The IUPAC name of hexadecylcyclotetrasiloxane (CID 171771447) is not available.
What is the SMILES notation for hexadecylcyclotetrasiloxane?
The canonical SMILES for hexadecylcyclotetrasiloxane is CCCCCCCCCCCCCCCC[Si]1O[Si]O[Si]O[Si]O1.
What is the InChIKey of hexadecylcyclotetrasiloxane?
The InChIKey is FGHBODAMDBHWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O4Si4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-19-22-17-21-18-23-20-24/h2-16H2,1H3.
What are the key properties of hexadecylcyclotetrasiloxane?
hexadecylcyclotetrasiloxane has a molecular weight of 401.78 g/mol, XLogP of 4.64, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecylcyclotetrasiloxane is sourced from PubChem (CID 171771447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).