CID 18709878

C17H29O2Si — CID 18709878

IUPAC—
SMILESC=[Si]OC1CCC2=CC(O)C(C(C)(C)C)CC2(C)C1C
InChIInChI=1S/C17H29O2Si/c1-11-15(19-20-6)8-7-12-9-14(18)13(16(2,3)4)10-17(11,12)5/h9,11,13-15,18H,6-8,10H2,1-5H3
InChIKeyFEYWUQPWZPCGCA-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.21
Rot. Bonds2

About CID 18709878

CID 18709878 (PubChem CID 18709878) has the molecular formula C17H29O2Si and a molecular weight of 293.50 g/mol.

Molecular Properties

Compound NameCID 18709878
PubChem CID18709878
Molecular FormulaC17H29O2Si
Molecular Weight293.50 g/mol
Exact Mass293.19
IUPAC Name—
SMILESC=[Si]OC1CCC2=CC(O)C(C(C)(C)C)CC2(C)C1C
InChIInChI=1S/C17H29O2Si/c1-11-15(19-20-6)8-7-12-9-14(18)13(16(2,3)4)10-17(11,12)5/h9,11,13-15,18H,6-8,10H2,1-5H3
InChIKeyFEYWUQPWZPCGCA-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 18709878?
The IUPAC name of CID 18709878 (CID 18709878) is not available.
What is the SMILES notation for CID 18709878?
The canonical SMILES for CID 18709878 is C=[Si]OC1CCC2=CC(O)C(C(C)(C)C)CC2(C)C1C.
What is the InChIKey of CID 18709878?
The InChIKey is FEYWUQPWZPCGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O2Si/c1-11-15(19-20-6)8-7-12-9-14(18)13(16(2,3)4)10-17(11,12)5/h9,11,13-15,18H,6-8,10H2,1-5H3.
What are the key properties of CID 18709878?
CID 18709878 has a molecular weight of 293.50 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18709878 is sourced from PubChem (CID 18709878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).