CID 136719158

C17H31O2Si — CID 136719158

IUPAC—
SMILESCC(/C=C\[Si](C(C)C)C(C)C)=C\COC1CCCCO1
InChIInChI=1S/C17H31O2Si/c1-14(2)20(15(3)4)13-10-16(5)9-12-19-17-8-6-7-11-18-17/h9-10,13-15,17H,6-8,11-12H2,1-5H3/b13-10-,16-9+
InChIKeyUDOPJTMNDZUVNI-WZJDZZSVSA-N
MW295.52 g/mol
LogP4.89
Rot. Bonds7

About CID 136719158

CID 136719158 (PubChem CID 136719158) has the molecular formula C17H31O2Si and a molecular weight of 295.52 g/mol.

Molecular Properties

Compound NameCID 136719158
PubChem CID136719158
Molecular FormulaC17H31O2Si
Molecular Weight295.52 g/mol
Exact Mass295.21
IUPAC Name—
SMILESCC(/C=C\[Si](C(C)C)C(C)C)=C\COC1CCCCO1
InChIInChI=1S/C17H31O2Si/c1-14(2)20(15(3)4)13-10-16(5)9-12-19-17-8-6-7-11-18-17/h9-10,13-15,17H,6-8,11-12H2,1-5H3/b13-10-,16-9+
InChIKeyUDOPJTMNDZUVNI-WZJDZZSVSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136719158?
The IUPAC name of CID 136719158 (CID 136719158) is not available.
What is the SMILES notation for CID 136719158?
The canonical SMILES for CID 136719158 is CC(/C=C\[Si](C(C)C)C(C)C)=C\COC1CCCCO1.
What is the InChIKey of CID 136719158?
The InChIKey is UDOPJTMNDZUVNI-WZJDZZSVSA-N. The full InChI is InChI=1S/C17H31O2Si/c1-14(2)20(15(3)4)13-10-16(5)9-12-19-17-8-6-7-11-18-17/h9-10,13-15,17H,6-8,11-12H2,1-5H3/b13-10-,16-9+.
What are the key properties of CID 136719158?
CID 136719158 has a molecular weight of 295.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136719158 is sourced from PubChem (CID 136719158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).