(3-methyl-1-adamantyl)phosphane

C11H19P — CID 14906503

IUPAC(3-methyl-1-adamantyl)phosphane
SMILESCC12CC3CC(C1)CC(P)(C3)C2
InChIInChI=1S/C11H19P/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKeyULBAGZCUFOTIHJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP3.22
Rot. Bonds

About (3-methyl-1-adamantyl)phosphane

(3-methyl-1-adamantyl)phosphane (PubChem CID 14906503) has the molecular formula C11H19P and a molecular weight of 182.25 g/mol. Its IUPAC name is (3-methyl-1-adamantyl)phosphane.

Molecular Properties

Compound Name(3-methyl-1-adamantyl)phosphane
PubChem CID14906503
Molecular FormulaC11H19P
Molecular Weight182.25 g/mol
Exact Mass182.12
IUPAC Name(3-methyl-1-adamantyl)phosphane
SMILESCC12CC3CC(C1)CC(P)(C3)C2
InChIInChI=1S/C11H19P/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKeyULBAGZCUFOTIHJ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-adamantyl)phosphane?
The IUPAC name of (3-methyl-1-adamantyl)phosphane (CID 14906503) is (3-methyl-1-adamantyl)phosphane.
What is the SMILES notation for (3-methyl-1-adamantyl)phosphane?
The canonical SMILES for (3-methyl-1-adamantyl)phosphane is CC12CC3CC(C1)CC(P)(C3)C2.
What is the InChIKey of (3-methyl-1-adamantyl)phosphane?
The InChIKey is ULBAGZCUFOTIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19P/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3.
What are the key properties of (3-methyl-1-adamantyl)phosphane?
(3-methyl-1-adamantyl)phosphane has a molecular weight of 182.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-adamantyl)phosphane is sourced from PubChem (CID 14906503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).