(8-tert-butylnaphthalen-2-yl)phosphane

C14H17P — CID 166789589

IUPAC(8-tert-butylnaphthalen-2-yl)phosphane
SMILESCC(C)(C)c1cccc2ccc(P)cc12
InChIInChI=1S/C14H17P/c1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13/h4-9H,15H2,1-3H3
InChIKeyNIRHJSARHYQLDQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.64
Rot. Bonds

About (8-tert-butylnaphthalen-2-yl)phosphane

(8-tert-butylnaphthalen-2-yl)phosphane (PubChem CID 166789589) has the molecular formula C14H17P and a molecular weight of 216.26 g/mol. Its IUPAC name is (8-tert-butylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Name(8-tert-butylnaphthalen-2-yl)phosphane
PubChem CID166789589
Molecular FormulaC14H17P
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name(8-tert-butylnaphthalen-2-yl)phosphane
SMILESCC(C)(C)c1cccc2ccc(P)cc12
InChIInChI=1S/C14H17P/c1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13/h4-9H,15H2,1-3H3
InChIKeyNIRHJSARHYQLDQ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-tert-butylnaphthalen-2-yl)phosphane?
The IUPAC name of (8-tert-butylnaphthalen-2-yl)phosphane (CID 166789589) is (8-tert-butylnaphthalen-2-yl)phosphane.
What is the SMILES notation for (8-tert-butylnaphthalen-2-yl)phosphane?
The canonical SMILES for (8-tert-butylnaphthalen-2-yl)phosphane is CC(C)(C)c1cccc2ccc(P)cc12.
What is the InChIKey of (8-tert-butylnaphthalen-2-yl)phosphane?
The InChIKey is NIRHJSARHYQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17P/c1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13/h4-9H,15H2,1-3H3.
What are the key properties of (8-tert-butylnaphthalen-2-yl)phosphane?
(8-tert-butylnaphthalen-2-yl)phosphane has a molecular weight of 216.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 166789589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).