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

C19H30BrP — CID 11003156

IUPACbromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C\Br)c(C(C)(C)C)c1
InChIInChI=1S/C19H30BrP/c1-17(2,3)13-10-14(18(4,5)6)16(21-12-20)15(11-13)19(7,8)9/h10-12H,1-9H3
InChIKeyAYMQDBYIQWXMRT-UHFFFAOYSA-N
MW369.33 g/mol
LogP6.31
Rot. Bonds1

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

bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 11003156) has the molecular formula C19H30BrP and a molecular weight of 369.33 g/mol. Its IUPAC name is bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Namebromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID11003156
Molecular FormulaC19H30BrP
Molecular Weight369.33 g/mol
Exact Mass368.13
IUPAC Namebromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C\Br)c(C(C)(C)C)c1
InChIInChI=1S/C19H30BrP/c1-17(2,3)13-10-14(18(4,5)6)16(21-12-20)15(11-13)19(7,8)9/h10-12H,1-9H3
InChIKeyAYMQDBYIQWXMRT-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.33
LogP ≤ 56.31
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 bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane (CID 11003156) is bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C\Br)c(C(C)(C)C)c1.
What is the InChIKey of bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is AYMQDBYIQWXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrP/c1-17(2,3)13-10-14(18(4,5)6)16(21-12-20)15(11-13)19(7,8)9/h10-12H,1-9H3.
What are the key properties of bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane?
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 369.33 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 11003156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).