[1-adamantyloxy(oxido)phosphoryl]formate

C11H15O5P-2 — CID 91929075

IUPAC[1-adamantyloxy(oxido)phosphoryl]formate
SMILESO=C([O-])P(=O)([O-])OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17O5P/c12-10(13)17(14,15)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)(H,14,15)/p-2
InChIKeyZMSQQHWYBIZGQA-UHFFFAOYSA-L
MW258.21 g/mol
LogP0.87
Rot. Bonds3

About [1-adamantyloxy(oxido)phosphoryl]formate

[1-adamantyloxy(oxido)phosphoryl]formate (PubChem CID 91929075) has the molecular formula C11H15O5P-2 and a molecular weight of 258.21 g/mol. Its IUPAC name is [1-adamantyloxy(oxido)phosphoryl]formate.

Molecular Properties

Compound Name[1-adamantyloxy(oxido)phosphoryl]formate
PubChem CID91929075
Molecular FormulaC11H15O5P-2
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name[1-adamantyloxy(oxido)phosphoryl]formate
SMILESO=C([O-])P(=O)([O-])OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17O5P/c12-10(13)17(14,15)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)(H,14,15)/p-2
InChIKeyZMSQQHWYBIZGQA-UHFFFAOYSA-L
XLogP0.87
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium 1-adamantyloxy(methoxycarbonyl)phosphinate
CID 23699004
1-adamantyl dihydrogen phosphate;oxetane
CID 66838482
[1-adamantyloxy(chloro)phosphoryl] hypochlorite
CID 174641384
2-(1-adamantyloxy)-2,2-difluoroacetate
CID 162451011
1-adamantyl amino carbonate
CID 69008372
N-(1-adamantyloxy)acetamide
CID 87737951
1-[ethenyl(methoxy)phosphoryl]oxyadamantane
CID 172839250
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
sodium;1-adamantyl acetate;hydride
CID 174617949
1-adamantyl 2,2-difluoroacetate
CID 58225853
bis(1-adamantyl) 3-oxopentanedioate
CID 101111352

Frequently Asked Questions

What is the IUPAC name of [1-adamantyloxy(oxido)phosphoryl]formate?
The IUPAC name of [1-adamantyloxy(oxido)phosphoryl]formate (CID 91929075) is [1-adamantyloxy(oxido)phosphoryl]formate.
What is the SMILES notation for [1-adamantyloxy(oxido)phosphoryl]formate?
The canonical SMILES for [1-adamantyloxy(oxido)phosphoryl]formate is O=C([O-])P(=O)([O-])OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-adamantyloxy(oxido)phosphoryl]formate?
The InChIKey is ZMSQQHWYBIZGQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H17O5P/c12-10(13)17(14,15)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)(H,14,15)/p-2.
What are the key properties of [1-adamantyloxy(oxido)phosphoryl]formate?
[1-adamantyloxy(oxido)phosphoryl]formate has a molecular weight of 258.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-adamantyloxy(oxido)phosphoryl]formate is sourced from PubChem (CID 91929075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).