ditert-butyl(1H-inden-2-yl)phosphane

C17H25P — CID 21095963

IUPACditert-butyl(1H-inden-2-yl)phosphane
SMILESCC(C)(C)P(C1=Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C17H25P/c1-16(2,3)18(17(4,5)6)15-11-13-9-7-8-10-14(13)12-15/h7-11H,12H2,1-6H3
InChIKeyNJCJYYIPTODAMH-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.66
Rot. Bonds1

About ditert-butyl(1H-inden-2-yl)phosphane

ditert-butyl(1H-inden-2-yl)phosphane (PubChem CID 21095963) has the molecular formula C17H25P and a molecular weight of 260.36 g/mol. Its IUPAC name is ditert-butyl(1H-inden-2-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl(1H-inden-2-yl)phosphane
PubChem CID21095963
Molecular FormulaC17H25P
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Nameditert-butyl(1H-inden-2-yl)phosphane
SMILESCC(C)(C)P(C1=Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C17H25P/c1-16(2,3)18(17(4,5)6)15-11-13-9-7-8-10-14(13)12-15/h7-11H,12H2,1-6H3
InChIKeyNJCJYYIPTODAMH-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.66
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

dichloro(1H-inden-2-yl)phosphane;methane;2-methyl-1H-indene
CID 161014735
dibutyl(1H-inden-2-yl)phosphane
CID 21096004
2-tert-butyl-1H-indene;zirconium
CID 159357994
ethane;2-methyl-1H-indene
CID 54388135
cyclohexyl-bis(1H-inden-2-yl)phosphane
CID 21095205
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
CID 143131255
CID 143131255
2-methylselanyl-1H-indene
CID 11041997
1H-inden-2-ylsilane
CID 137327560
1H-inden-2-ol;titanium
CID 174394573
hydron;1H-inden-2-ol
CID 174469237

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(1H-inden-2-yl)phosphane?
The IUPAC name of ditert-butyl(1H-inden-2-yl)phosphane (CID 21095963) is ditert-butyl(1H-inden-2-yl)phosphane.
What is the SMILES notation for ditert-butyl(1H-inden-2-yl)phosphane?
The canonical SMILES for ditert-butyl(1H-inden-2-yl)phosphane is CC(C)(C)P(C1=Cc2ccccc2C1)C(C)(C)C.
What is the InChIKey of ditert-butyl(1H-inden-2-yl)phosphane?
The InChIKey is NJCJYYIPTODAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25P/c1-16(2,3)18(17(4,5)6)15-11-13-9-7-8-10-14(13)12-15/h7-11H,12H2,1-6H3.
What are the key properties of ditert-butyl(1H-inden-2-yl)phosphane?
ditert-butyl(1H-inden-2-yl)phosphane has a molecular weight of 260.36 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(1H-inden-2-yl)phosphane is sourced from PubChem (CID 21095963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).