CID 173486869

C8H15B — CID 173486869

IUPAC—
SMILES[B]C/C=C\CC(C)(C)C
InChIInChI=1S/C8H15B/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyXUKHVVXWUNOAFJ-PLNGDYQASA-N
MW122.02 g/mol
LogP2.57
Rot. Bonds2

About CID 173486869

CID 173486869 (PubChem CID 173486869) has the molecular formula C8H15B and a molecular weight of 122.02 g/mol.

Molecular Properties

Compound NameCID 173486869
PubChem CID173486869
Molecular FormulaC8H15B
Molecular Weight122.02 g/mol
Exact Mass122.13
IUPAC Name—
SMILES[B]C/C=C\CC(C)(C)C
InChIInChI=1S/C8H15B/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyXUKHVVXWUNOAFJ-PLNGDYQASA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.02
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173486869 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

(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
CID 173485151
CID 173485151
1-tert-butylsulfanyl-4,4-dimethylpent-1-ene
CID 161059652
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
1-fluoro-4,4-dimethylpent-1-ene
CID 123199486
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
N,N-diethyl-5,5-dimethylhex-2-en-1-amine
CID 170847589
tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane
CID 58200092
CID 123341194
CID 123341194
(E)-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 122630459

Frequently Asked Questions

What is the IUPAC name of CID 173486869?
The IUPAC name of CID 173486869 (CID 173486869) is not available.
What is the SMILES notation for CID 173486869?
The canonical SMILES for CID 173486869 is [B]C/C=C\CC(C)(C)C.
What is the InChIKey of CID 173486869?
The InChIKey is XUKHVVXWUNOAFJ-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15B/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4-.
What are the key properties of CID 173486869?
CID 173486869 has a molecular weight of 122.02 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173486869 is sourced from PubChem (CID 173486869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).