CID 175388606

C8H16B — CID 175388606

IUPAC—
SMILESCC1CCCC(C)C1.[B]
InChIInChI=1S/C8H16.B/c1-7-4-3-5-8(2)6-7;/h7-8H,3-6H2,1-2H3;
InChIKeyGGPOOFUAUADWJT-UHFFFAOYSA-N
MW123.03 g/mol
LogP2.45
Rot. Bonds

About CID 175388606

CID 175388606 (PubChem CID 175388606) has the molecular formula C8H16B and a molecular weight of 123.03 g/mol.

Molecular Properties

Compound NameCID 175388606
PubChem CID175388606
Molecular FormulaC8H16B
Molecular Weight123.03 g/mol
Exact Mass123.13
IUPAC Name—
SMILESCC1CCCC(C)C1.[B]
InChIInChI=1S/C8H16.B/c1-7-4-3-5-8(2)6-7;/h7-8H,3-6H2,1-2H3;
InChIKeyGGPOOFUAUADWJT-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.03
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 175388606 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

(1R)-1,3-dimethylcyclohexane
CID 12594306
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
1,3,5-trimethylcyclododecane
CID 123355776
benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
CID 158573077
cyclooctane;methylcyclobutane
CID 159456217
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
1,3,6,8-tetramethylcyclodecane
CID 162455053
CID 158187464
CID 158187464
cyclobutane;ethane;methylcyclobutane
CID 158121682
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047

Frequently Asked Questions

What is the IUPAC name of CID 175388606?
The IUPAC name of CID 175388606 (CID 175388606) is not available.
What is the SMILES notation for CID 175388606?
The canonical SMILES for CID 175388606 is CC1CCCC(C)C1.[B].
What is the InChIKey of CID 175388606?
The InChIKey is GGPOOFUAUADWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.B/c1-7-4-3-5-8(2)6-7;/h7-8H,3-6H2,1-2H3;.
What are the key properties of CID 175388606?
CID 175388606 has a molecular weight of 123.03 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175388606 is sourced from PubChem (CID 175388606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).