CID 87621930

C11H21OSi — CID 87621930

IUPAC—
SMILESCC(CC#CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C11H21OSi/c1-10(11(2,3)4)8-7-9-12-13(5)6/h10H,8H2,1-6H3
InChIKeyUDXBLLYUDZUIPC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.29
Rot. Bonds2

About CID 87621930

CID 87621930 (PubChem CID 87621930) has the molecular formula C11H21OSi and a molecular weight of 197.37 g/mol.

Molecular Properties

Compound NameCID 87621930
PubChem CID87621930
Molecular FormulaC11H21OSi
Molecular Weight197.37 g/mol
Exact Mass197.14
IUPAC Name—
SMILESCC(CC#CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C11H21OSi/c1-10(11(2,3)4)8-7-9-12-13(5)6/h10H,8H2,1-6H3
InChIKeyUDXBLLYUDZUIPC-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87621930?
The IUPAC name of CID 87621930 (CID 87621930) is not available.
What is the SMILES notation for CID 87621930?
The canonical SMILES for CID 87621930 is CC(CC#CO[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 87621930?
The InChIKey is UDXBLLYUDZUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OSi/c1-10(11(2,3)4)8-7-9-12-13(5)6/h10H,8H2,1-6H3.
What are the key properties of CID 87621930?
CID 87621930 has a molecular weight of 197.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87621930 is sourced from PubChem (CID 87621930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).