CID 137061478

C15H29N2Si+ — CID 137061478

IUPAC—
SMILESCCCCCN1[Si][N+](CCCCC)=C(C)C=C1C
InChIInChI=1S/C15H29N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyBEKCKKLCQBFUQG-UHFFFAOYSA-N
MW265.50 g/mol
LogP3.59
Rot. Bonds8

About CID 137061478

CID 137061478 (PubChem CID 137061478) has the molecular formula C15H29N2Si+ and a molecular weight of 265.50 g/mol.

Molecular Properties

Compound NameCID 137061478
PubChem CID137061478
Molecular FormulaC15H29N2Si+
Molecular Weight265.50 g/mol
Exact Mass265.21
IUPAC Name—
SMILESCCCCCN1[Si][N+](CCCCC)=C(C)C=C1C
InChIInChI=1S/C15H29N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyBEKCKKLCQBFUQG-UHFFFAOYSA-N
XLogP3.59
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 137061478?
The IUPAC name of CID 137061478 (CID 137061478) is not available.
What is the SMILES notation for CID 137061478?
The canonical SMILES for CID 137061478 is CCCCCN1[Si][N+](CCCCC)=C(C)C=C1C.
What is the InChIKey of CID 137061478?
The InChIKey is BEKCKKLCQBFUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12H2,1-4H3/q+1.
What are the key properties of CID 137061478?
CID 137061478 has a molecular weight of 265.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137061478 is sourced from PubChem (CID 137061478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).