CID 59879592

C17H32O3Si — CID 59879592

IUPAC—
SMILESC=CC(CO)CC(CC=CCO)CC[Si]CCCCOC
InChIInChI=1S/C17H32O3Si/c1-3-16(15-19)14-17(8-4-5-10-18)9-13-21-12-7-6-11-20-2/h3-5,16-19H,1,6-15H2,2H3
InChIKeyVAJXUZXTIDQKPI-UHFFFAOYSA-N
MW312.53 g/mol
LogP3.08
Rot. Bonds15

About CID 59879592

CID 59879592 (PubChem CID 59879592) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol.

Molecular Properties

Compound NameCID 59879592
PubChem CID59879592
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name—
SMILESC=CC(CO)CC(CC=CCO)CC[Si]CCCCOC
InChIInChI=1S/C17H32O3Si/c1-3-16(15-19)14-17(8-4-5-10-18)9-13-21-12-7-6-11-20-2/h3-5,16-19H,1,6-15H2,2H3
InChIKeyVAJXUZXTIDQKPI-UHFFFAOYSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 59879592?
The IUPAC name of CID 59879592 (CID 59879592) is not available.
What is the SMILES notation for CID 59879592?
The canonical SMILES for CID 59879592 is C=CC(CO)CC(CC=CCO)CC[Si]CCCCOC.
What is the InChIKey of CID 59879592?
The InChIKey is VAJXUZXTIDQKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-3-16(15-19)14-17(8-4-5-10-18)9-13-21-12-7-6-11-20-2/h3-5,16-19H,1,6-15H2,2H3.
What are the key properties of CID 59879592?
CID 59879592 has a molecular weight of 312.53 g/mol, XLogP of 3.08, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59879592 is sourced from PubChem (CID 59879592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).