CID 173474578

C16H31B — CID 173474578

IUPAC—
SMILES[B]/C(CC)=C(\CCCCC)CCCCCCC
InChIInChI=1S/C16H31B/c1-4-7-9-10-12-14-15(16(17)6-3)13-11-8-5-2/h4-14H2,1-3H3/b16-15+
InChIKeyBBZQZRQDRGUHNV-FOCLMDBBSA-N
MW234.24 g/mol
LogP5.76
Rot. Bonds11

About CID 173474578

CID 173474578 (PubChem CID 173474578) has the molecular formula C16H31B and a molecular weight of 234.24 g/mol.

Molecular Properties

Compound NameCID 173474578
PubChem CID173474578
Molecular FormulaC16H31B
Molecular Weight234.24 g/mol
Exact Mass234.25
IUPAC Name—
SMILES[B]/C(CC)=C(\CCCCC)CCCCCCC
InChIInChI=1S/C16H31B/c1-4-7-9-10-12-14-15(16(17)6-3)13-11-8-5-2/h4-14H2,1-3H3/b16-15+
InChIKeyBBZQZRQDRGUHNV-FOCLMDBBSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.24
LogP ≤ 55.76
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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Frequently Asked Questions

What is the IUPAC name of CID 173474578?
The IUPAC name of CID 173474578 (CID 173474578) is not available.
What is the SMILES notation for CID 173474578?
The canonical SMILES for CID 173474578 is [B]/C(CC)=C(\CCCCC)CCCCCCC.
What is the InChIKey of CID 173474578?
The InChIKey is BBZQZRQDRGUHNV-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H31B/c1-4-7-9-10-12-14-15(16(17)6-3)13-11-8-5-2/h4-14H2,1-3H3/b16-15+.
What are the key properties of CID 173474578?
CID 173474578 has a molecular weight of 234.24 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474578 is sourced from PubChem (CID 173474578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).