6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one

C15H25OP — CID 122493904

IUPAC6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
SMILESCCP1C2(CCCC2)CC(=O)CC12CCCC2
InChIInChI=1S/C15H25OP/c1-2-17-14(7-3-4-8-14)11-13(16)12-15(17)9-5-6-10-15/h2-12H2,1H3
InChIKeyUDBOXEARJKAGEN-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.48
Rot. Bonds1

About 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one

6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one (PubChem CID 122493904) has the molecular formula C15H25OP and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one.

Molecular Properties

Compound Name6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
PubChem CID122493904
Molecular FormulaC15H25OP
Molecular Weight252.34 g/mol
Exact Mass252.16
IUPAC Name6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
SMILESCCP1C2(CCCC2)CC(=O)CC12CCCC2
InChIInChI=1S/C15H25OP/c1-2-17-14(7-3-4-8-14)11-13(16)12-15(17)9-5-6-10-15/h2-12H2,1H3
InChIKeyUDBOXEARJKAGEN-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The IUPAC name of 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one (CID 122493904) is 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one.
What is the SMILES notation for 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The canonical SMILES for 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one is CCP1C2(CCCC2)CC(=O)CC12CCCC2.
What is the InChIKey of 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The InChIKey is UDBOXEARJKAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25OP/c1-2-17-14(7-3-4-8-14)11-13(16)12-15(17)9-5-6-10-15/h2-12H2,1H3.
What are the key properties of 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one has a molecular weight of 252.34 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one is sourced from PubChem (CID 122493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).