CID 59971393

C11H20O2Si — CID 59971393

IUPAC—
SMILESC/C=C/[C@@H](CCC)[C@@H](C)C(=O)O[Si]C
InChIInChI=1S/C11H20O2Si/c1-5-7-10(8-6-2)9(3)11(12)13-14-4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-,10+/m1/s1
InChIKeyRKFHHCVNWBXCNT-NVETZNIKSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds6

About CID 59971393

CID 59971393 (PubChem CID 59971393) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol.

Molecular Properties

Compound NameCID 59971393
PubChem CID59971393
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name—
SMILESC/C=C/[C@@H](CCC)[C@@H](C)C(=O)O[Si]C
InChIInChI=1S/C11H20O2Si/c1-5-7-10(8-6-2)9(3)11(12)13-14-4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-,10+/m1/s1
InChIKeyRKFHHCVNWBXCNT-NVETZNIKSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
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 59971393?
The IUPAC name of CID 59971393 (CID 59971393) is not available.
What is the SMILES notation for CID 59971393?
The canonical SMILES for CID 59971393 is C/C=C/[C@@H](CCC)[C@@H](C)C(=O)O[Si]C.
What is the InChIKey of CID 59971393?
The InChIKey is RKFHHCVNWBXCNT-NVETZNIKSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-7-10(8-6-2)9(3)11(12)13-14-4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-,10+/m1/s1.
What are the key properties of CID 59971393?
CID 59971393 has a molecular weight of 212.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59971393 is sourced from PubChem (CID 59971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).