butan-2-yl(dipentyl)phosphane

C14H31P — CID 14121817

IUPACbutan-2-yl(dipentyl)phosphane
SMILESCCCCCP(CCCCC)C(C)CC
InChIInChI=1S/C14H31P/c1-5-8-10-12-15(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3
InChIKeyXZDIYFRMZXKYEZ-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.65
Rot. Bonds10

About butan-2-yl(dipentyl)phosphane

butan-2-yl(dipentyl)phosphane (PubChem CID 14121817) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is butan-2-yl(dipentyl)phosphane.

Molecular Properties

Compound Namebutan-2-yl(dipentyl)phosphane
PubChem CID14121817
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Namebutan-2-yl(dipentyl)phosphane
SMILESCCCCCP(CCCCC)C(C)CC
InChIInChI=1S/C14H31P/c1-5-8-10-12-15(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3
InChIKeyXZDIYFRMZXKYEZ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(dipentyl)phosphane?
The IUPAC name of butan-2-yl(dipentyl)phosphane (CID 14121817) is butan-2-yl(dipentyl)phosphane.
What is the SMILES notation for butan-2-yl(dipentyl)phosphane?
The canonical SMILES for butan-2-yl(dipentyl)phosphane is CCCCCP(CCCCC)C(C)CC.
What is the InChIKey of butan-2-yl(dipentyl)phosphane?
The InChIKey is XZDIYFRMZXKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-5-8-10-12-15(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3.
What are the key properties of butan-2-yl(dipentyl)phosphane?
butan-2-yl(dipentyl)phosphane has a molecular weight of 230.38 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(dipentyl)phosphane is sourced from PubChem (CID 14121817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).