CID 173358387

C6H14BLi — CID 173358387

IUPAC—
SMILES[B]C(C)(C)CCC.[H-].[Li+]
InChIInChI=1S/C6H13B.Li.H/c1-4-5-6(2,3)7;;/h4-5H2,1-3H3;;/q;+1;-1
InChIKeyRXHRNYHBAGGMDU-UHFFFAOYSA-N
MW103.93 g/mol
LogP-0.73
Rot. Bonds2

About CID 173358387

CID 173358387 (PubChem CID 173358387) has the molecular formula C6H14BLi and a molecular weight of 103.93 g/mol.

Molecular Properties

Compound NameCID 173358387
PubChem CID173358387
Molecular FormulaC6H14BLi
Molecular Weight103.93 g/mol
Exact Mass104.13
IUPAC Name—
SMILES[B]C(C)(C)CCC.[H-].[Li+]
InChIInChI=1S/C6H13B.Li.H/c1-4-5-6(2,3)7;;/h4-5H2,1-3H3;;/q;+1;-1
InChIKeyRXHRNYHBAGGMDU-UHFFFAOYSA-N
XLogP-0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.93
LogP ≤ 5-0.73
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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bis(2,2-dimethylpentane);methane
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CID 173380418
CID 19591301
CID 19591301
CID 140686763
CID 140686763
CID 101008751
CID 101008751
3,3-dimethylhexane
CID 11233
2,2-dimethylpentane;ethane;propane
CID 156751345
lithium;2,2-dimethylbutane;hydride
CID 174323452
2-methyl-2-methylsulfonylpentane
CID 58153427
CID 173478650
CID 173478650

Frequently Asked Questions

What is the IUPAC name of CID 173358387?
The IUPAC name of CID 173358387 (CID 173358387) is not available.
What is the SMILES notation for CID 173358387?
The canonical SMILES for CID 173358387 is [B]C(C)(C)CCC.[H-].[Li+].
What is the InChIKey of CID 173358387?
The InChIKey is RXHRNYHBAGGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13B.Li.H/c1-4-5-6(2,3)7;;/h4-5H2,1-3H3;;/q;+1;-1.
What are the key properties of CID 173358387?
CID 173358387 has a molecular weight of 103.93 g/mol, XLogP of -0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173358387 is sourced from PubChem (CID 173358387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).