ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane

C21H39NP2 — CID 102310635

IUPACditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
SMILESCC(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)C
InChIInChI=1S/C21H39NP2/c1-16(2)23(17(3)4)14-18-12-11-13-19(22-18)15-24(20(5,6)7)21(8,9)10/h11-13,16-17H,14-15H2,1-10H3
InChIKeyMOKLKFXFNMPTJH-UHFFFAOYSA-N
MW367.50 g/mol
LogP7.46
Rot. Bonds6

About ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane

ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane (PubChem CID 102310635) has the molecular formula C21H39NP2 and a molecular weight of 367.50 g/mol. Its IUPAC name is ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
PubChem CID102310635
Molecular FormulaC21H39NP2
Molecular Weight367.50 g/mol
Exact Mass367.26
IUPAC Nameditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
SMILESCC(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)C
InChIInChI=1S/C21H39NP2/c1-16(2)23(17(3)4)14-18-12-11-13-19(22-18)15-24(20(5,6)7)21(8,9)10/h11-13,16-17H,14-15H2,1-10H3
InChIKeyMOKLKFXFNMPTJH-UHFFFAOYSA-N
XLogP7.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane (CID 102310635) is ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane is CC(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)C.
What is the InChIKey of ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane?
The InChIKey is MOKLKFXFNMPTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NP2/c1-16(2)23(17(3)4)14-18-12-11-13-19(22-18)15-24(20(5,6)7)21(8,9)10/h11-13,16-17H,14-15H2,1-10H3.
What are the key properties of ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane?
ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane has a molecular weight of 367.50 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane is sourced from PubChem (CID 102310635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).