CID 58954404

C17H34O2Si — CID 58954404

IUPAC—
SMILESCC=CCCCCCCCC[Si]CC(C(C)O)C(C)O
InChIInChI=1S/C17H34O2Si/c1-4-5-6-7-8-9-10-11-12-13-20-14-17(15(2)18)16(3)19/h4-5,15-19H,6-14H2,1-3H3
InChIKeyJGLHXKVCTBATIR-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.21
Rot. Bonds13

About CID 58954404

CID 58954404 (PubChem CID 58954404) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol.

Molecular Properties

Compound NameCID 58954404
PubChem CID58954404
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name—
SMILESCC=CCCCCCCCC[Si]CC(C(C)O)C(C)O
InChIInChI=1S/C17H34O2Si/c1-4-5-6-7-8-9-10-11-12-13-20-14-17(15(2)18)16(3)19/h4-5,15-19H,6-14H2,1-3H3
InChIKeyJGLHXKVCTBATIR-UHFFFAOYSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 58954404?
The IUPAC name of CID 58954404 (CID 58954404) is not available.
What is the SMILES notation for CID 58954404?
The canonical SMILES for CID 58954404 is CC=CCCCCCCCC[Si]CC(C(C)O)C(C)O.
What is the InChIKey of CID 58954404?
The InChIKey is JGLHXKVCTBATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-4-5-6-7-8-9-10-11-12-13-20-14-17(15(2)18)16(3)19/h4-5,15-19H,6-14H2,1-3H3.
What are the key properties of CID 58954404?
CID 58954404 has a molecular weight of 298.54 g/mol, XLogP of 4.21, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58954404 is sourced from PubChem (CID 58954404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).