benzyl(3-methylbut-2-enyl)phosphane

C12H17P — CID 67468071

IUPACbenzyl(3-methylbut-2-enyl)phosphane
SMILESCC(C)=CCPCc1ccccc1
InChIInChI=1S/C12H17P/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3
InChIKeyXDIITHJUSNJMQP-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.83
Rot. Bonds4

About benzyl(3-methylbut-2-enyl)phosphane

benzyl(3-methylbut-2-enyl)phosphane (PubChem CID 67468071) has the molecular formula C12H17P and a molecular weight of 192.24 g/mol. Its IUPAC name is benzyl(3-methylbut-2-enyl)phosphane.

Molecular Properties

Compound Namebenzyl(3-methylbut-2-enyl)phosphane
PubChem CID67468071
Molecular FormulaC12H17P
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Namebenzyl(3-methylbut-2-enyl)phosphane
SMILESCC(C)=CCPCc1ccccc1
InChIInChI=1S/C12H17P/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3
InChIKeyXDIITHJUSNJMQP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 benzyl(3-methylbut-2-enyl)phosphane?
The IUPAC name of benzyl(3-methylbut-2-enyl)phosphane (CID 67468071) is benzyl(3-methylbut-2-enyl)phosphane.
What is the SMILES notation for benzyl(3-methylbut-2-enyl)phosphane?
The canonical SMILES for benzyl(3-methylbut-2-enyl)phosphane is CC(C)=CCPCc1ccccc1.
What is the InChIKey of benzyl(3-methylbut-2-enyl)phosphane?
The InChIKey is XDIITHJUSNJMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17P/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3.
What are the key properties of benzyl(3-methylbut-2-enyl)phosphane?
benzyl(3-methylbut-2-enyl)phosphane has a molecular weight of 192.24 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(3-methylbut-2-enyl)phosphane is sourced from PubChem (CID 67468071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).