CID 23642639

C12H27BP — CID 23642639

IUPAC—
SMILESCCCCCCP(CC)CCCC.[B]
InChIInChI=1S/C12H27P.B/c1-4-7-9-10-12-13(6-3)11-8-5-2;/h4-12H2,1-3H3;
InChIKeyALUPEUOGYQXAPS-UHFFFAOYSA-N
MW213.13 g/mol
LogP4.49
Rot. Bonds9

About CID 23642639

CID 23642639 (PubChem CID 23642639) has the molecular formula C12H27BP and a molecular weight of 213.13 g/mol.

Molecular Properties

Compound NameCID 23642639
PubChem CID23642639
Molecular FormulaC12H27BP
Molecular Weight213.13 g/mol
Exact Mass213.19
IUPAC Name—
SMILESCCCCCCP(CC)CCCC.[B]
InChIInChI=1S/C12H27P.B/c1-4-7-9-10-12-13(6-3)11-8-5-2;/h4-12H2,1-3H3;
InChIKeyALUPEUOGYQXAPS-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 54.49
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

ethyl-di(tetradecyl)phosphane
CID 89485353
decyl-ethyl-propylphosphane
CID 150305862
dibutyl(decyl)phosphane
CID 171559269
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
tris(trioctylphosphane);tungsten
CID 158972203
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of CID 23642639?
The IUPAC name of CID 23642639 (CID 23642639) is not available.
What is the SMILES notation for CID 23642639?
The canonical SMILES for CID 23642639 is CCCCCCP(CC)CCCC.[B].
What is the InChIKey of CID 23642639?
The InChIKey is ALUPEUOGYQXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.B/c1-4-7-9-10-12-13(6-3)11-8-5-2;/h4-12H2,1-3H3;.
What are the key properties of CID 23642639?
CID 23642639 has a molecular weight of 213.13 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23642639 is sourced from PubChem (CID 23642639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).