ditert-butyl(pent-2-enyl)phosphane

C13H27P — CID 141408952

IUPACditert-butyl(pent-2-enyl)phosphane
SMILESCCC=CCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27P/c1-8-9-10-11-14(12(2,3)4)13(5,6)7/h9-10H,8,11H2,1-7H3
InChIKeyPRCKMQWBNUPVFD-UHFFFAOYSA-N
MW214.33 g/mol
LogP5.03
Rot. Bonds3

About ditert-butyl(pent-2-enyl)phosphane

ditert-butyl(pent-2-enyl)phosphane (PubChem CID 141408952) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is ditert-butyl(pent-2-enyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(pent-2-enyl)phosphane
PubChem CID141408952
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Nameditert-butyl(pent-2-enyl)phosphane
SMILESCCC=CCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27P/c1-8-9-10-11-14(12(2,3)4)13(5,6)7/h9-10H,8,11H2,1-7H3
InChIKeyPRCKMQWBNUPVFD-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.33
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of ditert-butyl(pent-2-enyl)phosphane?
The IUPAC name of ditert-butyl(pent-2-enyl)phosphane (CID 141408952) is ditert-butyl(pent-2-enyl)phosphane.
What is the SMILES notation for ditert-butyl(pent-2-enyl)phosphane?
The canonical SMILES for ditert-butyl(pent-2-enyl)phosphane is CCC=CCP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(pent-2-enyl)phosphane?
The InChIKey is PRCKMQWBNUPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-8-9-10-11-14(12(2,3)4)13(5,6)7/h9-10H,8,11H2,1-7H3.
What are the key properties of ditert-butyl(pent-2-enyl)phosphane?
ditert-butyl(pent-2-enyl)phosphane has a molecular weight of 214.33 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(pent-2-enyl)phosphane is sourced from PubChem (CID 141408952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).