pentan-2-ylphosphane

C5H13P — CID 22981481

IUPACpentan-2-ylphosphane
SMILESCCCC(C)P
InChIInChI=1S/C5H13P/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyQJVNPOHYEQDGJB-UHFFFAOYSA-N
MW104.13 g/mol
LogP2.05
Rot. Bonds2

About pentan-2-ylphosphane

pentan-2-ylphosphane (PubChem CID 22981481) has the molecular formula C5H13P and a molecular weight of 104.13 g/mol. Its IUPAC name is pentan-2-ylphosphane.

Molecular Properties

Compound Namepentan-2-ylphosphane
PubChem CID22981481
Molecular FormulaC5H13P
Molecular Weight104.13 g/mol
Exact Mass104.08
IUPAC Namepentan-2-ylphosphane
SMILESCCCC(C)P
InChIInChI=1S/C5H13P/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyQJVNPOHYEQDGJB-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 52.05
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

heptadecan-2-ylphosphane
CID 154117788
pentadecan-2-ylphosphane
CID 154118597
decan-2-ylphosphane;thulium
CID 87745416
ethane;3-propylhexan-2-ylphosphane
CID 145493005
2-methylhexan-3-ylphosphane;dihydrochloride
CID 88799902
(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
CID 170221608
3-methylheptan-4-ylphosphane
CID 178108210
butan-2-ylphosphane;hydrochloride
CID 174764071
2-methylpentane
CID 7892
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
ethane;2-methylpentane
CID 143713716

Frequently Asked Questions

What is the IUPAC name of pentan-2-ylphosphane?
The IUPAC name of pentan-2-ylphosphane (CID 22981481) is pentan-2-ylphosphane.
What is the SMILES notation for pentan-2-ylphosphane?
The canonical SMILES for pentan-2-ylphosphane is CCCC(C)P.
What is the InChIKey of pentan-2-ylphosphane?
The InChIKey is QJVNPOHYEQDGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13P/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3.
What are the key properties of pentan-2-ylphosphane?
pentan-2-ylphosphane has a molecular weight of 104.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-ylphosphane is sourced from PubChem (CID 22981481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).