(1,2-dimethyl-2-adamantyl)phosphane

C12H21P — CID 68592204

IUPAC(1,2-dimethyl-2-adamantyl)phosphane
SMILESCC12CC3CC(CC(C3)C1(C)P)C2
InChIInChI=1S/C12H21P/c1-11-6-8-3-9(7-11)5-10(4-8)12(11,2)13/h8-10H,3-7,13H2,1-2H3
InChIKeyUZWKOTPZWBKTTG-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.47
Rot. Bonds

About (1,2-dimethyl-2-adamantyl)phosphane

(1,2-dimethyl-2-adamantyl)phosphane (PubChem CID 68592204) has the molecular formula C12H21P and a molecular weight of 196.27 g/mol. Its IUPAC name is (1,2-dimethyl-2-adamantyl)phosphane.

Molecular Properties

Compound Name(1,2-dimethyl-2-adamantyl)phosphane
PubChem CID68592204
Molecular FormulaC12H21P
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(1,2-dimethyl-2-adamantyl)phosphane
SMILESCC12CC3CC(CC(C3)C1(C)P)C2
InChIInChI=1S/C12H21P/c1-11-6-8-3-9(7-11)5-10(4-8)12(11,2)13/h8-10H,3-7,13H2,1-2H3
InChIKeyUZWKOTPZWBKTTG-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.47
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 (1,2-dimethyl-2-adamantyl)phosphane?
The IUPAC name of (1,2-dimethyl-2-adamantyl)phosphane (CID 68592204) is (1,2-dimethyl-2-adamantyl)phosphane.
What is the SMILES notation for (1,2-dimethyl-2-adamantyl)phosphane?
The canonical SMILES for (1,2-dimethyl-2-adamantyl)phosphane is CC12CC3CC(CC(C3)C1(C)P)C2.
What is the InChIKey of (1,2-dimethyl-2-adamantyl)phosphane?
The InChIKey is UZWKOTPZWBKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21P/c1-11-6-8-3-9(7-11)5-10(4-8)12(11,2)13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of (1,2-dimethyl-2-adamantyl)phosphane?
(1,2-dimethyl-2-adamantyl)phosphane has a molecular weight of 196.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-2-adamantyl)phosphane is sourced from PubChem (CID 68592204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).