CID 173498063

C15H31B — CID 173498063

IUPAC—
SMILES[B]C(CCC)(CCCCCCCC)C(C)C
InChIInChI=1S/C15H31B/c1-5-7-8-9-10-11-13-15(16,12-6-2)14(3)4/h14H,5-13H2,1-4H3
InChIKeyQJGAHZRGNQVJQK-UHFFFAOYSA-N
MW222.22 g/mol
LogP5.52
Rot. Bonds10

About CID 173498063

CID 173498063 (PubChem CID 173498063) has the molecular formula C15H31B and a molecular weight of 222.22 g/mol.

Molecular Properties

Compound NameCID 173498063
PubChem CID173498063
Molecular FormulaC15H31B
Molecular Weight222.22 g/mol
Exact Mass222.25
IUPAC Name—
SMILES[B]C(CCC)(CCCCCCCC)C(C)C
InChIInChI=1S/C15H31B/c1-5-7-8-9-10-11-13-15(16,12-6-2)14(3)4/h14H,5-13H2,1-4H3
InChIKeyQJGAHZRGNQVJQK-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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'}

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Related Compounds

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CID 173380418
CID 173380418
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
CID 173478650
CID 173478650
3,3-difluoro-2-methylnonane
CID 121443889
3,3-diethyl-2-methyldodecane
CID 151072312
3,3-difluoro-2-methylheptadecane
CID 22951834
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
6-methyl-6-propan-2-ylundecane
CID 87930599
3-ethyl-2,3-dimethylnonane
CID 57490996
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564

Frequently Asked Questions

What is the IUPAC name of CID 173498063?
The IUPAC name of CID 173498063 (CID 173498063) is not available.
What is the SMILES notation for CID 173498063?
The canonical SMILES for CID 173498063 is [B]C(CCC)(CCCCCCCC)C(C)C.
What is the InChIKey of CID 173498063?
The InChIKey is QJGAHZRGNQVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31B/c1-5-7-8-9-10-11-13-15(16,12-6-2)14(3)4/h14H,5-13H2,1-4H3.
What are the key properties of CID 173498063?
CID 173498063 has a molecular weight of 222.22 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173498063 is sourced from PubChem (CID 173498063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).