(2,4,6-tritert-butylphenyl)phosphane

C18H31P — CID 10956836

IUPAC(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P)c(C(C)(C)C)c1
InChIInChI=1S/C18H31P/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKeyKKBLXTRANCKMAQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.08
Rot. Bonds

About (2,4,6-tritert-butylphenyl)phosphane

(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 10956836) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is (2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name(2,4,6-tritert-butylphenyl)phosphane
PubChem CID10956836
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(P)c(C(C)(C)C)c1
InChIInChI=1S/C18H31P/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKeyKKBLXTRANCKMAQ-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.08
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 (2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of (2,4,6-tritert-butylphenyl)phosphane (CID 10956836) is (2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for (2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for (2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(P)c(C(C)(C)C)c1.
What is the InChIKey of (2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is KKBLXTRANCKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3.
What are the key properties of (2,4,6-tritert-butylphenyl)phosphane?
(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 278.42 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 10956836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).