CID 21353121

C14H20B2P2+2 — CID 21353121

IUPAC—
SMILES[B][P+]1(c2ccccc2[P+]2([B])CCCC2)CCCC1
InChIInChI=1S/C14H20B2P2/c15-17(9-3-4-10-17)13-7-1-2-8-14(13)18(16)11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/q+2
InChIKeyGTCOKAVLNQAEHR-UHFFFAOYSA-N
MW271.89 g/mol
LogP2.73
Rot. Bonds2

About CID 21353121

CID 21353121 (PubChem CID 21353121) has the molecular formula C14H20B2P2+2 and a molecular weight of 271.89 g/mol.

Molecular Properties

Compound NameCID 21353121
PubChem CID21353121
Molecular FormulaC14H20B2P2+2
Molecular Weight271.89 g/mol
Exact Mass272.12
IUPAC Name—
SMILES[B][P+]1(c2ccccc2[P+]2([B])CCCC2)CCCC1
InChIInChI=1S/C14H20B2P2/c15-17(9-3-4-10-17)13-7-1-2-8-14(13)18(16)11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/q+2
InChIKeyGTCOKAVLNQAEHR-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.89
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21353121?
The IUPAC name of CID 21353121 (CID 21353121) is not available.
What is the SMILES notation for CID 21353121?
The canonical SMILES for CID 21353121 is [B][P+]1(c2ccccc2[P+]2([B])CCCC2)CCCC1.
What is the InChIKey of CID 21353121?
The InChIKey is GTCOKAVLNQAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20B2P2/c15-17(9-3-4-10-17)13-7-1-2-8-14(13)18(16)11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/q+2.
What are the key properties of CID 21353121?
CID 21353121 has a molecular weight of 271.89 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21353121 is sourced from PubChem (CID 21353121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).