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

C15H20Cl2OP- — CID 141022998

IUPAC(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
SMILESCC(C/P=C(\[O-])c1c(Cl)cccc1Cl)CC(C)(C)C
InChIInChI=1S/C15H21Cl2OP/c1-10(8-15(2,3)4)9-19-14(18)13-11(16)6-5-7-12(13)17/h5-7,10,18H,8-9H2,1-4H3/p-1
InChIKeyPYQUSGGQLGBFPM-UHFFFAOYSA-M
MW318.20 g/mol
LogP4.85
Rot. Bonds4

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

(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate (PubChem CID 141022998) has the molecular formula C15H20Cl2OP- and a molecular weight of 318.20 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
PubChem CID141022998
Molecular FormulaC15H20Cl2OP-
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
SMILESCC(C/P=C(\[O-])c1c(Cl)cccc1Cl)CC(C)(C)C
InChIInChI=1S/C15H21Cl2OP/c1-10(8-15(2,3)4)9-19-14(18)13-11(16)6-5-7-12(13)17/h5-7,10,18H,8-9H2,1-4H3/p-1
InChIKeyPYQUSGGQLGBFPM-UHFFFAOYSA-M
XLogP4.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-diethylphenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
CID 141023143
[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone
CID 134205727
(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone
CID 18514057
1-(2-chloro-6-methylphenyl)-3,5,5-trimethyl-2-phosphanylhexan-1-one
CID 174476907
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
4-(2,6-dichlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415015
1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145267
(2R)-1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145268
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The IUPAC name of (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate (CID 141022998) is (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate.
What is the SMILES notation for (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The canonical SMILES for (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate is CC(C/P=C(\[O-])c1c(Cl)cccc1Cl)CC(C)(C)C.
What is the InChIKey of (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
The InChIKey is PYQUSGGQLGBFPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21Cl2OP/c1-10(8-15(2,3)4)9-19-14(18)13-11(16)6-5-7-12(13)17/h5-7,10,18H,8-9H2,1-4H3/p-1.
What are the key properties of (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate?
(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate has a molecular weight of 318.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate is sourced from PubChem (CID 141022998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).