pentyl 2-phosphanylacetate

C7H15O2P — CID 87942659

IUPACpentyl 2-phosphanylacetate
SMILESCCCCCOC(=O)CP
InChIInChI=1S/C7H15O2P/c1-2-3-4-5-9-7(8)6-10/h2-6,10H2,1H3
InChIKeyXEDLZBWEVBNKGC-UHFFFAOYSA-N
MW162.17 g/mol
LogP1.59
Rot. Bonds5

About pentyl 2-phosphanylacetate

pentyl 2-phosphanylacetate (PubChem CID 87942659) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is pentyl 2-phosphanylacetate.

Molecular Properties

Compound Namepentyl 2-phosphanylacetate
PubChem CID87942659
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Namepentyl 2-phosphanylacetate
SMILESCCCCCOC(=O)CP
InChIInChI=1S/C7H15O2P/c1-2-3-4-5-9-7(8)6-10/h2-6,10H2,1H3
InChIKeyXEDLZBWEVBNKGC-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 51.59
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

pentyl 3-phosphanylpropanoate
CID 59155334
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
pentyl propanoate;hydrofluoride
CID 174645674
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349
octadecyl octanoate;octyl octanoate
CID 161346280
decyl decanoate
CID 158095494

Frequently Asked Questions

What is the IUPAC name of pentyl 2-phosphanylacetate?
The IUPAC name of pentyl 2-phosphanylacetate (CID 87942659) is pentyl 2-phosphanylacetate.
What is the SMILES notation for pentyl 2-phosphanylacetate?
The canonical SMILES for pentyl 2-phosphanylacetate is CCCCCOC(=O)CP.
What is the InChIKey of pentyl 2-phosphanylacetate?
The InChIKey is XEDLZBWEVBNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-2-3-4-5-9-7(8)6-10/h2-6,10H2,1H3.
What are the key properties of pentyl 2-phosphanylacetate?
pentyl 2-phosphanylacetate has a molecular weight of 162.17 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-phosphanylacetate is sourced from PubChem (CID 87942659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).