1-[ethenyl(methoxy)phosphoryl]oxyadamantane

C13H21O3P — CID 172839250

IUPAC1-[ethenyl(methoxy)phosphoryl]oxyadamantane
SMILESC=CP(=O)(OC)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21O3P/c1-3-17(14,15-2)16-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,1,4-9H2,2H3
InChIKeyWONXCKVIECSHBA-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.95
Rot. Bonds4

About 1-[ethenyl(methoxy)phosphoryl]oxyadamantane

1-[ethenyl(methoxy)phosphoryl]oxyadamantane (PubChem CID 172839250) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[ethenyl(methoxy)phosphoryl]oxyadamantane.

Molecular Properties

Compound Name1-[ethenyl(methoxy)phosphoryl]oxyadamantane
PubChem CID172839250
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name1-[ethenyl(methoxy)phosphoryl]oxyadamantane
SMILESC=CP(=O)(OC)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21O3P/c1-3-17(14,15-2)16-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,1,4-9H2,2H3
InChIKeyWONXCKVIECSHBA-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl(methoxy)phosphoryl]oxyadamantane?
The IUPAC name of 1-[ethenyl(methoxy)phosphoryl]oxyadamantane (CID 172839250) is 1-[ethenyl(methoxy)phosphoryl]oxyadamantane.
What is the SMILES notation for 1-[ethenyl(methoxy)phosphoryl]oxyadamantane?
The canonical SMILES for 1-[ethenyl(methoxy)phosphoryl]oxyadamantane is C=CP(=O)(OC)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[ethenyl(methoxy)phosphoryl]oxyadamantane?
The InChIKey is WONXCKVIECSHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3P/c1-3-17(14,15-2)16-13-7-10-4-11(8-13)6-12(5-10)9-13/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-[ethenyl(methoxy)phosphoryl]oxyadamantane?
1-[ethenyl(methoxy)phosphoryl]oxyadamantane has a molecular weight of 256.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl(methoxy)phosphoryl]oxyadamantane is sourced from PubChem (CID 172839250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).