[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane

C12H20P2 — CID 144560796

IUPAC[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
SMILESCC(C)(C)c1ccc(C(P)CP)cc1
InChIInChI=1S/C12H20P2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3
InChIKeySWRZMXLIWVXSEO-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.78
Rot. Bonds2

About [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane

[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane (PubChem CID 144560796) has the molecular formula C12H20P2 and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
PubChem CID144560796
Molecular FormulaC12H20P2
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
SMILESCC(C)(C)c1ccc(C(P)CP)cc1
InChIInChI=1S/C12H20P2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3
InChIKeySWRZMXLIWVXSEO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.78
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

2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112516072
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane?
The IUPAC name of [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane (CID 144560796) is [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane.
What is the SMILES notation for [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane?
The canonical SMILES for [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane is CC(C)(C)c1ccc(C(P)CP)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane?
The InChIKey is SWRZMXLIWVXSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20P2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11H,8,13-14H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane?
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane has a molecular weight of 226.24 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane is sourced from PubChem (CID 144560796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).