CID 174030929

C15H31B — CID 174030929

IUPAC—
SMILES[B]CCC(C)(CCCC)CCCCCCC
InChIInChI=1S/C15H31B/c1-4-6-8-9-10-12-15(3,13-14-16)11-7-5-2/h4-14H2,1-3H3
InChIKeyZASMWZUXQUODQU-UHFFFAOYSA-N
MW222.22 g/mol
LogP5.52
Rot. Bonds11

About CID 174030929

CID 174030929 (PubChem CID 174030929) has the molecular formula C15H31B and a molecular weight of 222.22 g/mol.

Molecular Properties

Compound NameCID 174030929
PubChem CID174030929
Molecular FormulaC15H31B
Molecular Weight222.22 g/mol
Exact Mass222.25
IUPAC Name—
SMILES[B]CCC(C)(CCCC)CCCCCCC
InChIInChI=1S/C15H31B/c1-4-6-8-9-10-12-15(3,13-14-16)11-7-5-2/h4-14H2,1-3H3
InChIKeyZASMWZUXQUODQU-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.22
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174030929 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

5-butyl-5-methylpentadecane
CID 174700907
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
CID 173498091
CID 173498091
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
4-methyl-4-propylnonane
CID 54241684
3-hexyl-N,N,3-trimethylnonan-1-amine
CID 167121945
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of CID 174030929?
The IUPAC name of CID 174030929 (CID 174030929) is not available.
What is the SMILES notation for CID 174030929?
The canonical SMILES for CID 174030929 is [B]CCC(C)(CCCC)CCCCCCC.
What is the InChIKey of CID 174030929?
The InChIKey is ZASMWZUXQUODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31B/c1-4-6-8-9-10-12-15(3,13-14-16)11-7-5-2/h4-14H2,1-3H3.
What are the key properties of CID 174030929?
CID 174030929 has a molecular weight of 222.22 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030929 is sourced from PubChem (CID 174030929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).