CID 57413515

C15H25BP — CID 57413515

IUPAC—
SMILESC=CCCC1(P(C)C(C)(C)C)C=CCC=C1.[B]
InChIInChI=1S/C15H25P.B/c1-6-7-11-15(12-9-8-10-13-15)16(5)14(2,3)4;/h6,9-10,12-13H,1,7-8,11H2,2-5H3;
InChIKeyURBIHCCFFBIBPL-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.74
Rot. Bonds4

About CID 57413515

CID 57413515 (PubChem CID 57413515) has the molecular formula C15H25BP and a molecular weight of 247.15 g/mol.

Molecular Properties

Compound NameCID 57413515
PubChem CID57413515
Molecular FormulaC15H25BP
Molecular Weight247.15 g/mol
Exact Mass247.18
IUPAC Name—
SMILESC=CCCC1(P(C)C(C)(C)C)C=CCC=C1.[B]
InChIInChI=1S/C15H25P.B/c1-6-7-11-15(12-9-8-10-13-15)16(5)14(2,3)4;/h6,9-10,12-13H,1,7-8,11H2,2-5H3;
InChIKeyURBIHCCFFBIBPL-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57413515?
The IUPAC name of CID 57413515 (CID 57413515) is not available.
What is the SMILES notation for CID 57413515?
The canonical SMILES for CID 57413515 is C=CCCC1(P(C)C(C)(C)C)C=CCC=C1.[B].
What is the InChIKey of CID 57413515?
The InChIKey is URBIHCCFFBIBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25P.B/c1-6-7-11-15(12-9-8-10-13-15)16(5)14(2,3)4;/h6,9-10,12-13H,1,7-8,11H2,2-5H3;.
What are the key properties of CID 57413515?
CID 57413515 has a molecular weight of 247.15 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57413515 is sourced from PubChem (CID 57413515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).