bis(1-adamantyl)-prop-2-enylphosphane

C23H35P — CID 11633204

IUPACbis(1-adamantyl)-prop-2-enylphosphane
SMILESC=CCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35P/c1-2-3-24(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h2,16-21H,1,3-15H2
InChIKeyJCCVYYKJBLRSEL-UHFFFAOYSA-N
MW342.51 g/mol
LogP6.59
Rot. Bonds4

About bis(1-adamantyl)-prop-2-enylphosphane

bis(1-adamantyl)-prop-2-enylphosphane (PubChem CID 11633204) has the molecular formula C23H35P and a molecular weight of 342.51 g/mol. Its IUPAC name is bis(1-adamantyl)-prop-2-enylphosphane.

Molecular Properties

Compound Namebis(1-adamantyl)-prop-2-enylphosphane
PubChem CID11633204
Molecular FormulaC23H35P
Molecular Weight342.51 g/mol
Exact Mass342.25
IUPAC Namebis(1-adamantyl)-prop-2-enylphosphane
SMILESC=CCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35P/c1-2-3-24(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h2,16-21H,1,3-15H2
InChIKeyJCCVYYKJBLRSEL-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 56.59
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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Related Compounds

1-adamantyl(prop-2-enyl)azanium
CID 7312723
1-prop-2-enyladamantane
CID 10954060
bis(1-adamantyl)-butylphosphane;hydrobromide
CID 153370159
CID 87817296
CID 87817296
bis(1-adamantyl)-propan-2-ylphosphane
CID 12040497
(2S)-3-[bis(1-adamantyl)phosphanyl]-2-methylpropanenitrile
CID 11314683
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
bis(1-adamantyl)-[(3,4-dimethylcyclohexyl)methyl]phosphane
CID 68743220
1-hepta-1,6-dien-4-yloxyadamantane
CID 67157600
bis(1-adamantyl)-[[2-[bis(1-adamantyl)phosphanylmethyl]-4,5-ditert-butylphenyl]methyl]phosphane
CID 87463484
1-(hept-6-enoxymethyl)adamantane
CID 53248072
N-[(2E)-octa-2,7-dienyl]adamantan-1-amine
CID 78323291

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)-prop-2-enylphosphane?
The IUPAC name of bis(1-adamantyl)-prop-2-enylphosphane (CID 11633204) is bis(1-adamantyl)-prop-2-enylphosphane.
What is the SMILES notation for bis(1-adamantyl)-prop-2-enylphosphane?
The canonical SMILES for bis(1-adamantyl)-prop-2-enylphosphane is C=CCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)-prop-2-enylphosphane?
The InChIKey is JCCVYYKJBLRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35P/c1-2-3-24(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h2,16-21H,1,3-15H2.
What are the key properties of bis(1-adamantyl)-prop-2-enylphosphane?
bis(1-adamantyl)-prop-2-enylphosphane has a molecular weight of 342.51 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-prop-2-enylphosphane is sourced from PubChem (CID 11633204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).