1-(diethylphosphorylmethyl)adamantane;ethane

C17H33OP — CID 91532642

IUPAC1-(diethylphosphorylmethyl)adamantane;ethane
SMILESCC.CCP(=O)(CC)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27OP.C2H6/c1-3-17(16,4-2)11-15-8-12-5-13(9-15)7-14(6-12)10-15;1-2/h12-14H,3-11H2,1-2H3;1-2H3
InChIKeyNDBORTFUKWZDJX-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.63
Rot. Bonds4

About 1-(diethylphosphorylmethyl)adamantane;ethane

1-(diethylphosphorylmethyl)adamantane;ethane (PubChem CID 91532642) has the molecular formula C17H33OP and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(diethylphosphorylmethyl)adamantane;ethane.

Molecular Properties

Compound Name1-(diethylphosphorylmethyl)adamantane;ethane
PubChem CID91532642
Molecular FormulaC17H33OP
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1-(diethylphosphorylmethyl)adamantane;ethane
SMILESCC.CCP(=O)(CC)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27OP.C2H6/c1-3-17(16,4-2)11-15-8-12-5-13(9-15)7-14(6-12)10-15;1-2/h12-14H,3-11H2,1-2H3;1-2H3
InChIKeyNDBORTFUKWZDJX-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(diethylphosphorylmethyl)adamantane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diethylphosphorylmethyl)adamantane;ethane?
The IUPAC name of 1-(diethylphosphorylmethyl)adamantane;ethane (CID 91532642) is 1-(diethylphosphorylmethyl)adamantane;ethane.
What is the SMILES notation for 1-(diethylphosphorylmethyl)adamantane;ethane?
The canonical SMILES for 1-(diethylphosphorylmethyl)adamantane;ethane is CC.CCP(=O)(CC)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(diethylphosphorylmethyl)adamantane;ethane?
The InChIKey is NDBORTFUKWZDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27OP.C2H6/c1-3-17(16,4-2)11-15-8-12-5-13(9-15)7-14(6-12)10-15;1-2/h12-14H,3-11H2,1-2H3;1-2H3.
What are the key properties of 1-(diethylphosphorylmethyl)adamantane;ethane?
1-(diethylphosphorylmethyl)adamantane;ethane has a molecular weight of 284.42 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylphosphorylmethyl)adamantane;ethane is sourced from PubChem (CID 91532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).