CID 87586137

C16H21O4Si — CID 87586137

IUPAC—
SMILESC=C(C)C(=O)C(C=O)CCc1ccccc1[Si](OC)OC
InChIInChI=1S/C16H21O4Si/c1-12(2)16(18)14(11-17)10-9-13-7-5-6-8-15(13)21(19-3)20-4/h5-8,11,14H,1,9-10H2,2-4H3
InChIKeyGORROGYNVPBKRX-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.57
Rot. Bonds9

About CID 87586137

CID 87586137 (PubChem CID 87586137) has the molecular formula C16H21O4Si and a molecular weight of 305.43 g/mol.

Molecular Properties

Compound NameCID 87586137
PubChem CID87586137
Molecular FormulaC16H21O4Si
Molecular Weight305.43 g/mol
Exact Mass305.12
IUPAC Name—
SMILESC=C(C)C(=O)C(C=O)CCc1ccccc1[Si](OC)OC
InChIInChI=1S/C16H21O4Si/c1-12(2)16(18)14(11-17)10-9-13-7-5-6-8-15(13)21(19-3)20-4/h5-8,11,14H,1,9-10H2,2-4H3
InChIKeyGORROGYNVPBKRX-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87586137?
The IUPAC name of CID 87586137 (CID 87586137) is not available.
What is the SMILES notation for CID 87586137?
The canonical SMILES for CID 87586137 is C=C(C)C(=O)C(C=O)CCc1ccccc1[Si](OC)OC.
What is the InChIKey of CID 87586137?
The InChIKey is GORROGYNVPBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O4Si/c1-12(2)16(18)14(11-17)10-9-13-7-5-6-8-15(13)21(19-3)20-4/h5-8,11,14H,1,9-10H2,2-4H3.
What are the key properties of CID 87586137?
CID 87586137 has a molecular weight of 305.43 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87586137 is sourced from PubChem (CID 87586137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).