2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane

C16H57P9 — CID 163860740

IUPAC2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane
SMILESC.C.C.C.C.C.CC(P)(P)C(P)(P)C(C)(P)P.CC(P)C(P)C(C)P
InChIInChI=1S/C5H18P6.C5H15P3.6CH4/c1-3(6,7)5(10,11)4(2,8)9;1-3(6)5(8)4(2)7;;;;;;/h6-11H2,1-2H3;3-5H,6-8H2,1-2H3;6*1H4
InChIKeyPCHPJZWPJCWGHX-UHFFFAOYSA-N
MW528.40 g/mol
LogP7.94
Rot. Bonds4

About 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane

2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane (PubChem CID 163860740) has the molecular formula C16H57P9 and a molecular weight of 528.40 g/mol. Its IUPAC name is 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane.

Molecular Properties

Compound Name2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane
PubChem CID163860740
Molecular FormulaC16H57P9
Molecular Weight528.40 g/mol
Exact Mass528.21
IUPAC Name2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane
SMILESC.C.C.C.C.C.CC(P)(P)C(P)(P)C(C)(P)P.CC(P)C(P)C(C)P
InChIInChI=1S/C5H18P6.C5H15P3.6CH4/c1-3(6,7)5(10,11)4(2,8)9;1-3(6)5(8)4(2)7;;;;;;/h6-11H2,1-2H3;3-5H,6-8H2,1-2H3;6*1H4
InChIKeyPCHPJZWPJCWGHX-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.40
LogP ≤ 57.94
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

3,3-dimethylbutan-2-ylphosphane
CID 57029329
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
2,3,3,4,5-pentamethylhexane
CID 21040423
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
CID 170180258
2,2-dibromo-3-methylbutane
CID 13047634
3,3-dimethylbutan-2-olate
CID 59342742
tert-butylphosphane;hydrochloride
CID 71334552
ethane;propan-2-ylphosphane
CID 170611311
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
N,N,2,4-tetramethyl-3-phosphanylpentan-3-amine
CID 22213688
2,2,4,5,5-pentamethylhexan-3-one;2,2,5,5-tetramethylhexane-3,4-dione
CID 161494050

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane?
The IUPAC name of 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane (CID 163860740) is 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane.
What is the SMILES notation for 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane?
The canonical SMILES for 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane is C.C.C.C.C.C.CC(P)(P)C(P)(P)C(C)(P)P.CC(P)C(P)C(C)P.
What is the InChIKey of 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane?
The InChIKey is PCHPJZWPJCWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H18P6.C5H15P3.6CH4/c1-3(6,7)5(10,11)4(2,8)9;1-3(6)5(8)4(2)7;;;;;;/h6-11H2,1-2H3;3-5H,6-8H2,1-2H3;6*1H4.
What are the key properties of 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane?
2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane has a molecular weight of 528.40 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phosphanyl)pentan-3-ylphosphane;methane;2,2,3,4,4-pentakis(phosphanyl)pentan-3-ylphosphane is sourced from PubChem (CID 163860740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).