CID 19817233

C18H21O2Si — CID 19817233

IUPAC—
SMILESC#CCCC(=O)C(O[Si])(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21O2Si/c1-2-3-14-17(19)18(20-21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4,6-7,10-11,16H,3,5,8-9,12-14H2
InChIKeyVTPLBQWGSWBYNQ-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.54
Rot. Bonds6

About CID 19817233

CID 19817233 (PubChem CID 19817233) has the molecular formula C18H21O2Si and a molecular weight of 297.45 g/mol.

Molecular Properties

Compound NameCID 19817233
PubChem CID19817233
Molecular FormulaC18H21O2Si
Molecular Weight297.45 g/mol
Exact Mass297.13
IUPAC Name—
SMILESC#CCCC(=O)C(O[Si])(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21O2Si/c1-2-3-14-17(19)18(20-21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4,6-7,10-11,16H,3,5,8-9,12-14H2
InChIKeyVTPLBQWGSWBYNQ-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19817233?
The IUPAC name of CID 19817233 (CID 19817233) is not available.
What is the SMILES notation for CID 19817233?
The canonical SMILES for CID 19817233 is C#CCCC(=O)C(O[Si])(c1ccccc1)C1CCCCC1.
What is the InChIKey of CID 19817233?
The InChIKey is VTPLBQWGSWBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2Si/c1-2-3-14-17(19)18(20-21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4,6-7,10-11,16H,3,5,8-9,12-14H2.
What are the key properties of CID 19817233?
CID 19817233 has a molecular weight of 297.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19817233 is sourced from PubChem (CID 19817233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).