CID 134904999

C6H12B — CID 134904999

IUPAC—
SMILESC[C@@H]1[B][C@H](C)CC1
InChIInChI=1S/C6H12B/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyYENPBCWYZBYDCH-OLQVQODUSA-N
MW94.97 g/mol
LogP2.10
Rot. Bonds

About CID 134904999

CID 134904999 (PubChem CID 134904999) has the molecular formula C6H12B and a molecular weight of 94.97 g/mol.

Molecular Properties

Compound NameCID 134904999
PubChem CID134904999
Molecular FormulaC6H12B
Molecular Weight94.97 g/mol
Exact Mass95.10
IUPAC Name—
SMILESC[C@@H]1[B][C@H](C)CC1
InChIInChI=1S/C6H12B/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyYENPBCWYZBYDCH-OLQVQODUSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.97
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134904999 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methylcyclopropane
CID 158329065
CID 144820013
CID 144820013
CID 58183500
CID 58183500
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
3,6-Dimethylborepan-1-yl
CID 13087088
1-methoxy-3-methyl-1λ5-phospholane 1-oxide
CID 15682939
2,2,3-trimethyloxasilepane
CID 22966650
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
trimethoxy-(4-trimethoxysilylcyclohexyl)silane
CID 142667269
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of CID 134904999?
The IUPAC name of CID 134904999 (CID 134904999) is not available.
What is the SMILES notation for CID 134904999?
The canonical SMILES for CID 134904999 is C[C@@H]1[B][C@H](C)CC1.
What is the InChIKey of CID 134904999?
The InChIKey is YENPBCWYZBYDCH-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12B/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of CID 134904999?
CID 134904999 has a molecular weight of 94.97 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134904999 is sourced from PubChem (CID 134904999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).