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

C16H27OP — CID 123289174

IUPAC6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
SMILESCCCP1C2(CCCC2)CC(=O)CC12CCCC2
InChIInChI=1S/C16H27OP/c1-2-11-18-15(7-3-4-8-15)12-14(17)13-16(18)9-5-6-10-16/h2-13H2,1H3
InChIKeyLEGUEEJPLKUZJT-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.87
Rot. Bonds2

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

6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one (PubChem CID 123289174) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one.

Molecular Properties

Compound Name6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
PubChem CID123289174
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one
SMILESCCCP1C2(CCCC2)CC(=O)CC12CCCC2
InChIInChI=1S/C16H27OP/c1-2-11-18-15(7-3-4-8-15)12-14(17)13-16(18)9-5-6-10-16/h2-13H2,1H3
InChIKeyLEGUEEJPLKUZJT-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.87
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-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The IUPAC name of 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one (CID 123289174) is 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one.
What is the SMILES notation for 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The canonical SMILES for 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one is CCCP1C2(CCCC2)CC(=O)CC12CCCC2.
What is the InChIKey of 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
The InChIKey is LEGUEEJPLKUZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-2-11-18-15(7-3-4-8-15)12-14(17)13-16(18)9-5-6-10-16/h2-13H2,1H3.
What are the key properties of 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one?
6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one has a molecular weight of 266.36 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-6-phosphadispiro[4.1.47.35]tetradecan-13-one is sourced from PubChem (CID 123289174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).