CID 67046201

C12H23OSi — CID 67046201

IUPAC—
SMILESC[Si](C)OC=C[C@@H](C1CC1)C(C)(C)C
InChIInChI=1S/C12H23OSi/c1-12(2,3)11(10-6-7-10)8-9-13-14(4)5/h8-11H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyAWKAKBKKXCIFQL-NSHDSACASA-N
MW211.40 g/mol
LogP3.84
Rot. Bonds4

About CID 67046201

CID 67046201 (PubChem CID 67046201) has the molecular formula C12H23OSi and a molecular weight of 211.40 g/mol.

Molecular Properties

Compound NameCID 67046201
PubChem CID67046201
Molecular FormulaC12H23OSi
Molecular Weight211.40 g/mol
Exact Mass211.15
IUPAC Name—
SMILESC[Si](C)OC=C[C@@H](C1CC1)C(C)(C)C
InChIInChI=1S/C12H23OSi/c1-12(2,3)11(10-6-7-10)8-9-13-14(4)5/h8-11H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyAWKAKBKKXCIFQL-NSHDSACASA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67046201?
The IUPAC name of CID 67046201 (CID 67046201) is not available.
What is the SMILES notation for CID 67046201?
The canonical SMILES for CID 67046201 is C[Si](C)OC=C[C@@H](C1CC1)C(C)(C)C.
What is the InChIKey of CID 67046201?
The InChIKey is AWKAKBKKXCIFQL-NSHDSACASA-N. The full InChI is InChI=1S/C12H23OSi/c1-12(2,3)11(10-6-7-10)8-9-13-14(4)5/h8-11H,6-7H2,1-5H3/t11-/m0/s1.
What are the key properties of CID 67046201?
CID 67046201 has a molecular weight of 211.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67046201 is sourced from PubChem (CID 67046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).