CID 158628418

C12H28B3P2 — CID 158628418

IUPAC—
SMILES[B]B(CCCCCCC[B]CCC)CCPP
InChIInChI=1S/C12H28B3P2/c1-2-8-14-9-6-4-3-5-7-10-15(13)11-12-17-16/h17H,2-12,16H2,1H3
InChIKeyFIECCSQWZQPOQE-UHFFFAOYSA-N
MW266.74 g/mol
LogP4.52
Rot. Bonds13

About CID 158628418

CID 158628418 (PubChem CID 158628418) has the molecular formula C12H28B3P2 and a molecular weight of 266.74 g/mol.

Molecular Properties

Compound NameCID 158628418
PubChem CID158628418
Molecular FormulaC12H28B3P2
Molecular Weight266.74 g/mol
Exact Mass267.19
IUPAC Name—
SMILES[B]B(CCCCCCC[B]CCC)CCPP
InChIInChI=1S/C12H28B3P2/c1-2-8-14-9-6-4-3-5-7-10-15(13)11-12-17-16/h17H,2-12,16H2,1H3
InChIKeyFIECCSQWZQPOQE-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 54.52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 173449434
CID 173449434
CID 173449370
CID 173449370
Di-pentylborane
CID 13258648
CID 159809580
CID 159809580
pentyl(phosphanyl)phosphane
CID 87351270
tetradecylboronic acid
CID 3528229
octadecylboronic acid
CID 521161
tri(nonyl)borane
CID 12793706
decylphosphanylmethylboronic acid
CID 150889550
hexylphosphanylmethylboronic acid
CID 153329176
heptyl(dimethyl)borane
CID 123843147
CID 123245055
CID 123245055

Frequently Asked Questions

What is the IUPAC name of CID 158628418?
The IUPAC name of CID 158628418 (CID 158628418) is not available.
What is the SMILES notation for CID 158628418?
The canonical SMILES for CID 158628418 is [B]B(CCCCCCC[B]CCC)CCPP.
What is the InChIKey of CID 158628418?
The InChIKey is FIECCSQWZQPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28B3P2/c1-2-8-14-9-6-4-3-5-7-10-15(13)11-12-17-16/h17H,2-12,16H2,1H3.
What are the key properties of CID 158628418?
CID 158628418 has a molecular weight of 266.74 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158628418 is sourced from PubChem (CID 158628418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).