1-adamantyl-dimethyl-prop-2-enylphosphanium

C15H26P+ — CID 3090763

IUPAC1-adamantyl-dimethyl-prop-2-enylphosphanium
SMILESC=CC[P+](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26P/c1-4-5-16(2,3)15-9-12-6-13(10-15)8-14(7-12)11-15/h4,12-14H,1,5-11H2,2-3H3/q+1
InChIKeyFUYFKSJDXNETNS-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.42
Rot. Bonds3

About 1-adamantyl-dimethyl-prop-2-enylphosphanium

1-adamantyl-dimethyl-prop-2-enylphosphanium (PubChem CID 3090763) has the molecular formula C15H26P+ and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-adamantyl-dimethyl-prop-2-enylphosphanium.

Molecular Properties

Compound Name1-adamantyl-dimethyl-prop-2-enylphosphanium
PubChem CID3090763
Molecular FormulaC15H26P+
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-adamantyl-dimethyl-prop-2-enylphosphanium
SMILESC=CC[P+](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26P/c1-4-5-16(2,3)15-9-12-6-13(10-15)8-14(7-12)11-15/h4,12-14H,1,5-11H2,2-3H3/q+1
InChIKeyFUYFKSJDXNETNS-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-dimethyl-prop-2-enylphosphanium?
The IUPAC name of 1-adamantyl-dimethyl-prop-2-enylphosphanium (CID 3090763) is 1-adamantyl-dimethyl-prop-2-enylphosphanium.
What is the SMILES notation for 1-adamantyl-dimethyl-prop-2-enylphosphanium?
The canonical SMILES for 1-adamantyl-dimethyl-prop-2-enylphosphanium is C=CC[P+](C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-dimethyl-prop-2-enylphosphanium?
The InChIKey is FUYFKSJDXNETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26P/c1-4-5-16(2,3)15-9-12-6-13(10-15)8-14(7-12)11-15/h4,12-14H,1,5-11H2,2-3H3/q+1.
What are the key properties of 1-adamantyl-dimethyl-prop-2-enylphosphanium?
1-adamantyl-dimethyl-prop-2-enylphosphanium has a molecular weight of 237.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-dimethyl-prop-2-enylphosphanium is sourced from PubChem (CID 3090763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).