pentylphosphanylformaldehyde

C6H13OP — CID 88740069

IUPACpentylphosphanylformaldehyde
SMILESCCCCCPC=O
InChIInChI=1S/C6H13OP/c1-2-3-4-5-8-6-7/h6,8H,2-5H2,1H3
InChIKeyJNIWXMOBYKWBAT-UHFFFAOYSA-N
MW132.14 g/mol
LogP2.05
Rot. Bonds5

About pentylphosphanylformaldehyde

pentylphosphanylformaldehyde (PubChem CID 88740069) has the molecular formula C6H13OP and a molecular weight of 132.14 g/mol. Its IUPAC name is pentylphosphanylformaldehyde.

Molecular Properties

Compound Namepentylphosphanylformaldehyde
PubChem CID88740069
Molecular FormulaC6H13OP
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namepentylphosphanylformaldehyde
SMILESCCCCCPC=O
InChIInChI=1S/C6H13OP/c1-2-3-4-5-8-6-7/h6,8H,2-5H2,1H3
InChIKeyJNIWXMOBYKWBAT-UHFFFAOYSA-N
XLogP2.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-1-enyl(heptyl)phosphane
CID 173168219
dipentylphosphane
CID 11105867
hex-1-enyl(undecyl)phosphane
CID 90686757
dodecylphosphinous acid
CID 22292110
dodecyl(octyl)phosphane
CID 87829037
octyl(pentylphosphanyl)phosphane
CID 21095189
docosyl(docosylphosphanyl)phosphane
CID 21095052
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dioxotitanium;octadecane
CID 174721553
butyl(heptadecyl)phosphane
CID 146521828
2-bromoethylphosphanylformaldehyde
CID 158026915

Frequently Asked Questions

What is the IUPAC name of pentylphosphanylformaldehyde?
The IUPAC name of pentylphosphanylformaldehyde (CID 88740069) is pentylphosphanylformaldehyde.
What is the SMILES notation for pentylphosphanylformaldehyde?
The canonical SMILES for pentylphosphanylformaldehyde is CCCCCPC=O.
What is the InChIKey of pentylphosphanylformaldehyde?
The InChIKey is JNIWXMOBYKWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OP/c1-2-3-4-5-8-6-7/h6,8H,2-5H2,1H3.
What are the key properties of pentylphosphanylformaldehyde?
pentylphosphanylformaldehyde has a molecular weight of 132.14 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentylphosphanylformaldehyde is sourced from PubChem (CID 88740069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).