CID 173374720

C12H26BLi — CID 173374720

IUPAC—
SMILES[B]C(C)(C)C(CC(C)C)CC(C)C.[H-].[Li+]
InChIInChI=1S/C12H25B.Li.H/c1-9(2)7-11(8-10(3)4)12(5,6)13;;/h9-11H,7-8H2,1-6H3;;/q;+1;-1
InChIKeyXVIAHUFLWFTSPN-UHFFFAOYSA-N
MW188.09 g/mol
LogP1.18
Rot. Bonds5

About CID 173374720

CID 173374720 (PubChem CID 173374720) has the molecular formula C12H26BLi and a molecular weight of 188.09 g/mol.

Molecular Properties

Compound NameCID 173374720
PubChem CID173374720
Molecular FormulaC12H26BLi
Molecular Weight188.09 g/mol
Exact Mass188.23
IUPAC Name—
SMILES[B]C(C)(C)C(CC(C)C)CC(C)C.[H-].[Li+]
InChIInChI=1S/C12H25B.Li.H/c1-9(2)7-11(8-10(3)4)12(5,6)13;;/h9-11H,7-8H2,1-6H3;;/q;+1;-1
InChIKeyXVIAHUFLWFTSPN-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173374720?
The IUPAC name of CID 173374720 (CID 173374720) is not available.
What is the SMILES notation for CID 173374720?
The canonical SMILES for CID 173374720 is [B]C(C)(C)C(CC(C)C)CC(C)C.[H-].[Li+].
What is the InChIKey of CID 173374720?
The InChIKey is XVIAHUFLWFTSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25B.Li.H/c1-9(2)7-11(8-10(3)4)12(5,6)13;;/h9-11H,7-8H2,1-6H3;;/q;+1;-1.
What are the key properties of CID 173374720?
CID 173374720 has a molecular weight of 188.09 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173374720 is sourced from PubChem (CID 173374720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).