CID 139249964

C19H33LiSi2 — CID 139249964

IUPAC—
SMILESCCCC#C[Si](C)(C)C1=C(CCC)C(CCC)=[C-][Si]1(C)C.[Li+]
InChIInChI=1S/C19H33Si2.Li/c1-8-11-12-15-20(4,5)19-18(14-10-3)17(13-9-2)16-21(19,6)7;/h8-11,13-14H2,1-7H3;/q-1;+1
InChIKeyJALJUVGAZVETQE-UHFFFAOYSA-N
MW324.59 g/mol
LogP3.01
Rot. Bonds6

About CID 139249964

CID 139249964 (PubChem CID 139249964) has the molecular formula C19H33LiSi2 and a molecular weight of 324.59 g/mol.

Molecular Properties

Compound NameCID 139249964
PubChem CID139249964
Molecular FormulaC19H33LiSi2
Molecular Weight324.59 g/mol
Exact Mass324.23
IUPAC Name—
SMILESCCCC#C[Si](C)(C)C1=C(CCC)C(CCC)=[C-][Si]1(C)C.[Li+]
InChIInChI=1S/C19H33Si2.Li/c1-8-11-12-15-20(4,5)19-18(14-10-3)17(13-9-2)16-21(19,6)7;/h8-11,13-14H2,1-7H3;/q-1;+1
InChIKeyJALJUVGAZVETQE-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 139249964?
The IUPAC name of CID 139249964 (CID 139249964) is not available.
What is the SMILES notation for CID 139249964?
The canonical SMILES for CID 139249964 is CCCC#C[Si](C)(C)C1=C(CCC)C(CCC)=[C-][Si]1(C)C.[Li+].
What is the InChIKey of CID 139249964?
The InChIKey is JALJUVGAZVETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33Si2.Li/c1-8-11-12-15-20(4,5)19-18(14-10-3)17(13-9-2)16-21(19,6)7;/h8-11,13-14H2,1-7H3;/q-1;+1.
What are the key properties of CID 139249964?
CID 139249964 has a molecular weight of 324.59 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139249964 is sourced from PubChem (CID 139249964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).