[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane

C24H39P — CID 67083235

IUPAC[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane
SMILESCC(C)(P)C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H39P/c1-22(2,25)21(23-9-15-3-16(10-23)5-17(4-15)11-23)24-12-18-6-19(13-24)8-20(7-18)14-24/h15-21H,3-14,25H2,1-2H3
InChIKeyUYEBSGMUIALABS-UHFFFAOYSA-N
MW358.55 g/mol
LogP6.69
Rot. Bonds3

About [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane

[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane (PubChem CID 67083235) has the molecular formula C24H39P and a molecular weight of 358.55 g/mol. Its IUPAC name is [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane.

Molecular Properties

Compound Name[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane
PubChem CID67083235
Molecular FormulaC24H39P
Molecular Weight358.55 g/mol
Exact Mass358.28
IUPAC Name[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane
SMILESCC(C)(P)C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H39P/c1-22(2,25)21(23-9-15-3-16(10-23)5-17(4-15)11-23)24-12-18-6-19(13-24)8-20(7-18)14-24/h15-21H,3-14,25H2,1-2H3
InChIKeyUYEBSGMUIALABS-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
(R)-1-adamantyl(methoxy)methanol
CID 124639055
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
(5S,7R)-1-tert-butyl-3-propan-2-yladamantane
CID 11806605
1-(1-hydroperoxy-2,2-dimethylbutyl)adamantane
CID 20771626
1-(1-adamantyl)ethyl-trihydroxysilane
CID 69077254
2-(1-adamantyl)propan-1-ol
CID 23623999
1-(1-adamantyl)ethylhydrazine
CID 23008707
1-(1-chloropropyl)adamantane
CID 89114762

Frequently Asked Questions

What is the IUPAC name of [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane?
The IUPAC name of [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane (CID 67083235) is [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane.
What is the SMILES notation for [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane?
The canonical SMILES for [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane is CC(C)(P)C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane?
The InChIKey is UYEBSGMUIALABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39P/c1-22(2,25)21(23-9-15-3-16(10-23)5-17(4-15)11-23)24-12-18-6-19(13-24)8-20(7-18)14-24/h15-21H,3-14,25H2,1-2H3.
What are the key properties of [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane?
[1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane has a molecular weight of 358.55 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-bis(1-adamantyl)-2-methylpropan-2-yl]phosphane is sourced from PubChem (CID 67083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).