2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane

C40H96P4 — CID 157276968

IUPAC2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane
SMILESCCC(C)(C)C.CCC(C)(C)CC.CCC(C)(C)CP.CCC(C)(CC)CC.CCC(C)(CC)CP.CCC(C)(CP)CP
InChIInChI=1S/C8H18.C7H17P.C7H16.C6H16P2.C6H15P.C6H14/c1-5-8(4,6-2)7-3;1-4-7(3,5-2)6-8;1-5-7(3,4)6-2;1-3-6(2,4-7)5-8;1-4-6(2,3)5-7;1-5-6(2,3)4/h5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H2,1-4H3;3-5,7-8H2,1-2H3;4-5,7H2,1-3H3;5H2,1-4H3
InChIKeyAZFJMPXDNMROHO-UHFFFAOYSA-N
MW701.10 g/mol
LogP15.64
Rot. Bonds13

About 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane

2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane (PubChem CID 157276968) has the molecular formula C40H96P4 and a molecular weight of 701.10 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane.

Molecular Properties

Compound Name2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane
PubChem CID157276968
Molecular FormulaC40H96P4
Molecular Weight701.10 g/mol
Exact Mass700.65
IUPAC Name2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane
SMILESCCC(C)(C)C.CCC(C)(C)CC.CCC(C)(C)CP.CCC(C)(CC)CC.CCC(C)(CC)CP.CCC(C)(CP)CP
InChIInChI=1S/C8H18.C7H17P.C7H16.C6H16P2.C6H15P.C6H14/c1-5-8(4,6-2)7-3;1-4-7(3,5-2)6-8;1-5-7(3,4)6-2;1-3-6(2,4-7)5-8;1-4-6(2,3)5-7;1-5-6(2,3)4/h5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H2,1-4H3;3-5,7-8H2,1-2H3;4-5,7H2,1-3H3;5H2,1-4H3
InChIKeyAZFJMPXDNMROHO-UHFFFAOYSA-N
XLogP15.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.10
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane with MolForge

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Related Compounds

2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
[2-methyl-3-phosphanyl-2-(phosphanylmethyl)propyl]phosphane
CID 87413701
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
ethane;3-ethyl-3-methylpentane
CID 158904304
3-ethyl-3-methylpentane;methanol
CID 143799596
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane?
The IUPAC name of 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane (CID 157276968) is 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane.
What is the SMILES notation for 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane?
The canonical SMILES for 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane is CCC(C)(C)C.CCC(C)(C)CC.CCC(C)(C)CP.CCC(C)(CC)CC.CCC(C)(CC)CP.CCC(C)(CP)CP.
What is the InChIKey of 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane?
The InChIKey is AZFJMPXDNMROHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H17P.C7H16.C6H16P2.C6H15P.C6H14/c1-5-8(4,6-2)7-3;1-4-7(3,5-2)6-8;1-5-7(3,4)6-2;1-3-6(2,4-7)5-8;1-4-6(2,3)5-7;1-5-6(2,3)4/h5-7H2,1-4H3;4-6,8H2,1-3H3;5-6H2,1-4H3;3-5,7-8H2,1-2H3;4-5,7H2,1-3H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane?
2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane has a molecular weight of 701.10 g/mol, XLogP of 15.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane is sourced from PubChem (CID 157276968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).