tricyclobutyl phosphate

C12H21O4P — CID 66609052

IUPACtricyclobutyl phosphate
SMILESO=P(OC1CCC1)(OC1CCC1)OC1CCC1
InChIInChI=1S/C12H21O4P/c13-17(14-10-4-1-5-10,15-11-6-2-7-11)16-12-8-3-9-12/h10-12H,1-9H2
InChIKeyHNKJFQVYKBVIPW-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.80
Rot. Bonds6

About tricyclobutyl phosphate

tricyclobutyl phosphate (PubChem CID 66609052) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is tricyclobutyl phosphate.

Molecular Properties

Compound Nametricyclobutyl phosphate
PubChem CID66609052
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Nametricyclobutyl phosphate
SMILESO=P(OC1CCC1)(OC1CCC1)OC1CCC1
InChIInChI=1S/C12H21O4P/c13-17(14-10-4-1-5-10,15-11-6-2-7-11)16-12-8-3-9-12/h10-12H,1-9H2
InChIKeyHNKJFQVYKBVIPW-UHFFFAOYSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclobutyl phosphate?
The IUPAC name of tricyclobutyl phosphate (CID 66609052) is tricyclobutyl phosphate.
What is the SMILES notation for tricyclobutyl phosphate?
The canonical SMILES for tricyclobutyl phosphate is O=P(OC1CCC1)(OC1CCC1)OC1CCC1.
What is the InChIKey of tricyclobutyl phosphate?
The InChIKey is HNKJFQVYKBVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O4P/c13-17(14-10-4-1-5-10,15-11-6-2-7-11)16-12-8-3-9-12/h10-12H,1-9H2.
What are the key properties of tricyclobutyl phosphate?
tricyclobutyl phosphate has a molecular weight of 260.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclobutyl phosphate is sourced from PubChem (CID 66609052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).