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

C20H32ClP — CID 14494179

IUPACchloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
SMILESC=CP(Cl)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H32ClP/c1-11-22(21)17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)20(8,9)10/h11-13H,1H2,2-10H3
InChIKeyGFHABEMMOQXHJB-UHFFFAOYSA-N
MW338.90 g/mol
LogP6.98
Rot. Bonds2

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

chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 14494179) has the molecular formula C20H32ClP and a molecular weight of 338.90 g/mol. Its IUPAC name is chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Namechloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID14494179
Molecular FormulaC20H32ClP
Molecular Weight338.90 g/mol
Exact Mass338.19
IUPAC Namechloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
SMILESC=CP(Cl)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H32ClP/c1-11-22(21)17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)20(8,9)10/h11-13H,1H2,2-10H3
InChIKeyGFHABEMMOQXHJB-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.90
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 546782
[2,6-bis(2,4,6-tritert-butylphenyl)phenyl]-dichlorophosphane
CID 101225089
1,2,3,5-tetratert-butylbenzene
CID 18679123
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium
CID 177418599
CID 143036156
CID 143036156
N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine
CID 163168730
1,3,5-tritert-butyl-2-isothiocyanatobenzene
CID 13308804
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
CID 18347404
N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
CID 134932690

Frequently Asked Questions

What is the IUPAC name of chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane (CID 14494179) is chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane is C=CP(Cl)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is GFHABEMMOQXHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClP/c1-11-22(21)17-15(19(5,6)7)12-14(18(2,3)4)13-16(17)20(8,9)10/h11-13H,1H2,2-10H3.
What are the key properties of chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane?
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 338.90 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 14494179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).