butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane

C12H28P2 — CID 175949871

IUPACbutyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
SMILESCCCCP(C(C)(C)C)C(C)(C)CP
InChIInChI=1S/C12H28P2/c1-7-8-9-14(11(2,3)4)12(5,6)10-13/h7-10,13H2,1-6H3
InChIKeyLNONJEJKBLMLEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.72
Rot. Bonds5

About butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane

butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane (PubChem CID 175949871) has the molecular formula C12H28P2 and a molecular weight of 234.30 g/mol. Its IUPAC name is butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane.

Molecular Properties

Compound Namebutyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
PubChem CID175949871
Molecular FormulaC12H28P2
Molecular Weight234.30 g/mol
Exact Mass234.17
IUPAC Namebutyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
SMILESCCCCP(C(C)(C)C)C(C)(C)CP
InChIInChI=1S/C12H28P2/c1-7-8-9-14(11(2,3)4)12(5,6)10-13/h7-10,13H2,1-6H3
InChIKeyLNONJEJKBLMLEG-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.72
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

ditert-butyl(propyl)phosphane
CID 15264580
butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
CID 173222621
3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane
CID 22217709
pentane;tritert-butylphosphane
CID 175086214
5-(phosphanylmethyl)nonan-5-ol
CID 140650139
ditert-butyl(propyl)phosphane ditetrafluoroborate
CID 175033358
bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 146156617
ruthenium;tetrakis(tributylphosphane)
CID 137286049
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
CID 173080651
azane;tributylphosphane
CID 87538509
nickel;bis(tributylphosphane)
CID 50940317
gold;tributylphosphane
CID 88800341

Frequently Asked Questions

What is the IUPAC name of butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane?
The IUPAC name of butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane (CID 175949871) is butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane.
What is the SMILES notation for butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane?
The canonical SMILES for butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane is CCCCP(C(C)(C)C)C(C)(C)CP.
What is the InChIKey of butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane?
The InChIKey is LNONJEJKBLMLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28P2/c1-7-8-9-14(11(2,3)4)12(5,6)10-13/h7-10,13H2,1-6H3.
What are the key properties of butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane?
butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane has a molecular weight of 234.30 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane is sourced from PubChem (CID 175949871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).