ethyl 4-ethyl-4-phosphanylhexanoate

C10H21O2P — CID 174578933

IUPACethyl 4-ethyl-4-phosphanylhexanoate
SMILESCCOC(=O)CCC(P)(CC)CC
InChIInChI=1S/C10H21O2P/c1-4-10(13,5-2)8-7-9(11)12-6-3/h4-8,13H2,1-3H3
InChIKeyMOYHHPQGZWYDCD-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.76
Rot. Bonds6

About ethyl 4-ethyl-4-phosphanylhexanoate

ethyl 4-ethyl-4-phosphanylhexanoate (PubChem CID 174578933) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is ethyl 4-ethyl-4-phosphanylhexanoate.

Molecular Properties

Compound Nameethyl 4-ethyl-4-phosphanylhexanoate
PubChem CID174578933
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Nameethyl 4-ethyl-4-phosphanylhexanoate
SMILESCCOC(=O)CCC(P)(CC)CC
InChIInChI=1S/C10H21O2P/c1-4-10(13,5-2)8-7-9(11)12-6-3/h4-8,13H2,1-3H3
InChIKeyMOYHHPQGZWYDCD-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanoate
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diethyl 2,2-dibromopentanedioate
CID 54436079
ethyl 4-hydroperoxy-4-hydroxypentanoate
CID 12522765
diethyl hexanedioate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-4-phosphanylhexanoate?
The IUPAC name of ethyl 4-ethyl-4-phosphanylhexanoate (CID 174578933) is ethyl 4-ethyl-4-phosphanylhexanoate.
What is the SMILES notation for ethyl 4-ethyl-4-phosphanylhexanoate?
The canonical SMILES for ethyl 4-ethyl-4-phosphanylhexanoate is CCOC(=O)CCC(P)(CC)CC.
What is the InChIKey of ethyl 4-ethyl-4-phosphanylhexanoate?
The InChIKey is MOYHHPQGZWYDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-4-10(13,5-2)8-7-9(11)12-6-3/h4-8,13H2,1-3H3.
What are the key properties of ethyl 4-ethyl-4-phosphanylhexanoate?
ethyl 4-ethyl-4-phosphanylhexanoate has a molecular weight of 204.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-4-phosphanylhexanoate is sourced from PubChem (CID 174578933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).