(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate

C14H27O5P — CID 101405193

IUPAC(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1CCP(=O)(O)O1
InChIInChI=1S/C14H27O5P/c1-2-3-4-5-6-7-8-9-14(15)18-12-13-10-11-20(16,17)19-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyMBJHYHDTCBGFRO-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.64
Rot. Bonds10

About (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate

(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate (PubChem CID 101405193) has the molecular formula C14H27O5P and a molecular weight of 306.34 g/mol. Its IUPAC name is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate.

Molecular Properties

Compound Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate
PubChem CID101405193
Molecular FormulaC14H27O5P
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Name(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate
SMILESCCCCCCCCCC(=O)OCC1CCP(=O)(O)O1
InChIInChI=1S/C14H27O5P/c1-2-3-4-5-6-7-8-9-14(15)18-12-13-10-11-20(16,17)19-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyMBJHYHDTCBGFRO-UHFFFAOYSA-N
XLogP3.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(4R)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl]methyl octadecanoate
CID 52922108
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl octadecanoate
CID 51040919
CID 131874851
CID 131874851
(2-hydroxy-2-oxo-1,3,2λ5-oxathiaphospholan-5-yl)methyl (Z)-octadec-9-enoate
CID 53358655
[6-(hydroxymethyl)-1,4-dioxan-2-yl]methyl dodecanoate
CID 101106650
(5-tridecyloxolan-2-yl)methyl 5-chloropentanoate
CID 14326609
[4-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298146
cyclobutylmethyl octanoate
CID 176885511
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate?
The IUPAC name of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate (CID 101405193) is (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate.
What is the SMILES notation for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate?
The canonical SMILES for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate is CCCCCCCCCC(=O)OCC1CCP(=O)(O)O1.
What is the InChIKey of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate?
The InChIKey is MBJHYHDTCBGFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O5P/c1-2-3-4-5-6-7-8-9-14(15)18-12-13-10-11-20(16,17)19-13/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate?
(2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate has a molecular weight of 306.34 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl)methyl decanoate is sourced from PubChem (CID 101405193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).