pentyl 3-phosphanylpropanoate

C8H17O2P — CID 59155334

IUPACpentyl 3-phosphanylpropanoate
SMILESCCCCCOC(=O)CCP
InChIInChI=1S/C8H17O2P/c1-2-3-4-6-10-8(9)5-7-11/h2-7,11H2,1H3
InChIKeyDTULUEZAEVFVRS-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.99
Rot. Bonds6

About pentyl 3-phosphanylpropanoate

pentyl 3-phosphanylpropanoate (PubChem CID 59155334) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is pentyl 3-phosphanylpropanoate.

Molecular Properties

Compound Namepentyl 3-phosphanylpropanoate
PubChem CID59155334
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Namepentyl 3-phosphanylpropanoate
SMILESCCCCCOC(=O)CCP
InChIInChI=1S/C8H17O2P/c1-2-3-4-6-10-8(9)5-7-11/h2-7,11H2,1H3
InChIKeyDTULUEZAEVFVRS-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracosyl 3-phosphanylpropanoate
CID 88840795
pentyl butanoate
CID 10890
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
pentyl hexanoate
CID 10886
nonyl pentanoate
CID 568602
1-O-hexyl 10-O-octyl decanedioate
CID 91729377
decyl tridecanoate
CID 54021367
tridecyl heptacosanoate
CID 168953402
hentriacontyl icosanoate
CID 53492809
tridecyl nonadecanoate
CID 161042448

Frequently Asked Questions

What is the IUPAC name of pentyl 3-phosphanylpropanoate?
The IUPAC name of pentyl 3-phosphanylpropanoate (CID 59155334) is pentyl 3-phosphanylpropanoate.
What is the SMILES notation for pentyl 3-phosphanylpropanoate?
The canonical SMILES for pentyl 3-phosphanylpropanoate is CCCCCOC(=O)CCP.
What is the InChIKey of pentyl 3-phosphanylpropanoate?
The InChIKey is DTULUEZAEVFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-2-3-4-6-10-8(9)5-7-11/h2-7,11H2,1H3.
What are the key properties of pentyl 3-phosphanylpropanoate?
pentyl 3-phosphanylpropanoate has a molecular weight of 176.20 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-phosphanylpropanoate is sourced from PubChem (CID 59155334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).