CID 140676839

C12H23N2Si+ — CID 140676839

IUPAC—
SMILESCCCCN1[Si][N+](CCC)=C(C)C=C1C
InChIInChI=1S/C12H23N2Si/c1-5-7-9-14-12(4)10-11(3)13(15-14)8-6-2/h10H,5-9H2,1-4H3/q+1
InChIKeyVDOWKCHBTCDOCK-UHFFFAOYSA-N
MW223.42 g/mol
LogP2.42
Rot. Bonds5

About CID 140676839

CID 140676839 (PubChem CID 140676839) has the molecular formula C12H23N2Si+ and a molecular weight of 223.42 g/mol.

Molecular Properties

Compound NameCID 140676839
PubChem CID140676839
Molecular FormulaC12H23N2Si+
Molecular Weight223.42 g/mol
Exact Mass223.16
IUPAC Name—
SMILESCCCCN1[Si][N+](CCC)=C(C)C=C1C
InChIInChI=1S/C12H23N2Si/c1-5-7-9-14-12(4)10-11(3)13(15-14)8-6-2/h10H,5-9H2,1-4H3/q+1
InChIKeyVDOWKCHBTCDOCK-UHFFFAOYSA-N
XLogP2.42
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140676839?
The IUPAC name of CID 140676839 (CID 140676839) is not available.
What is the SMILES notation for CID 140676839?
The canonical SMILES for CID 140676839 is CCCCN1[Si][N+](CCC)=C(C)C=C1C.
What is the InChIKey of CID 140676839?
The InChIKey is VDOWKCHBTCDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2Si/c1-5-7-9-14-12(4)10-11(3)13(15-14)8-6-2/h10H,5-9H2,1-4H3/q+1.
What are the key properties of CID 140676839?
CID 140676839 has a molecular weight of 223.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140676839 is sourced from PubChem (CID 140676839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).