(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate

C19H30OP- — CID 141023143

IUPAC(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
SMILESCCc1cccc(CC)c1/C([O-])=P/CC(C)CC(C)(C)C
InChIInChI=1S/C19H31OP/c1-7-15-10-9-11-16(8-2)17(15)18(20)21-13-14(3)12-19(4,5)6/h9-11,14,20H,7-8,12-13H2,1-6H3/p-1
InChIKeyVTDXJOPDJOKHQZ-UHFFFAOYSA-M
MW305.42 g/mol
LogP4.67
Rot. Bonds6

About (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate

(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate (PubChem CID 141023143) has the molecular formula C19H30OP- and a molecular weight of 305.42 g/mol. Its IUPAC name is (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate.

Molecular Properties

Compound Name(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
PubChem CID141023143
Molecular FormulaC19H30OP-
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
SMILESCCc1cccc(CC)c1/C([O-])=P/CC(C)CC(C)(C)C
InChIInChI=1S/C19H31OP/c1-7-15-10-9-11-16(8-2)17(15)18(20)21-13-14(3)12-19(4,5)6/h9-11,14,20H,7-8,12-13H2,1-6H3/p-1
InChIKeyVTDXJOPDJOKHQZ-UHFFFAOYSA-M
XLogP4.67
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.67
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 (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The IUPAC name of (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate (CID 141023143) is (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate.
What is the SMILES notation for (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The canonical SMILES for (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate is CCc1cccc(CC)c1/C([O-])=P/CC(C)CC(C)(C)C.
What is the InChIKey of (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The InChIKey is VTDXJOPDJOKHQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31OP/c1-7-15-10-9-11-16(8-2)17(15)18(20)21-13-14(3)12-19(4,5)6/h9-11,14,20H,7-8,12-13H2,1-6H3/p-1.
What are the key properties of (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate has a molecular weight of 305.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate is sourced from PubChem (CID 141023143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).