methyl 2-methylidene-6-phosphonooxyhexanoate

C8H15O6P — CID 58340254

IUPACmethyl 2-methylidene-6-phosphonooxyhexanoate
SMILESC=C(CCCCOP(=O)(O)O)C(=O)OC
InChIInChI=1S/C8H15O6P/c1-7(8(9)13-2)5-3-4-6-14-15(10,11)12/h1,3-6H2,2H3,(H2,10,11,12)
InChIKeyUSKSPBNQSOXIOT-UHFFFAOYSA-N
MW238.18 g/mol
LogP1.00
Rot. Bonds7

About methyl 2-methylidene-6-phosphonooxyhexanoate

methyl 2-methylidene-6-phosphonooxyhexanoate (PubChem CID 58340254) has the molecular formula C8H15O6P and a molecular weight of 238.18 g/mol. Its IUPAC name is methyl 2-methylidene-6-phosphonooxyhexanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-6-phosphonooxyhexanoate
PubChem CID58340254
Molecular FormulaC8H15O6P
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Namemethyl 2-methylidene-6-phosphonooxyhexanoate
SMILESC=C(CCCCOP(=O)(O)O)C(=O)OC
InChIInChI=1S/C8H15O6P/c1-7(8(9)13-2)5-3-4-6-14-15(10,11)12/h1,3-6H2,2H3,(H2,10,11,12)
InChIKeyUSKSPBNQSOXIOT-UHFFFAOYSA-N
XLogP1.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 2-methylidene-6-phosphonooxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
methyl 5-phosphonooxypentanoate
CID 138740971
2-methylidene-5-phosphonooxypentanoic acid
CID 22995158
methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
CID 58805775
methyl 2-(2-phosphonooxyethyl)but-2-enoate
CID 175436124
24-phosphonooxytetracosanoic acid
CID 87680802
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
35-phosphonooxypentatriacontanoic acid
CID 87686848
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-6-phosphonooxyhexanoate?
The IUPAC name of methyl 2-methylidene-6-phosphonooxyhexanoate (CID 58340254) is methyl 2-methylidene-6-phosphonooxyhexanoate.
What is the SMILES notation for methyl 2-methylidene-6-phosphonooxyhexanoate?
The canonical SMILES for methyl 2-methylidene-6-phosphonooxyhexanoate is C=C(CCCCOP(=O)(O)O)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-6-phosphonooxyhexanoate?
The InChIKey is USKSPBNQSOXIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O6P/c1-7(8(9)13-2)5-3-4-6-14-15(10,11)12/h1,3-6H2,2H3,(H2,10,11,12).
What are the key properties of methyl 2-methylidene-6-phosphonooxyhexanoate?
methyl 2-methylidene-6-phosphonooxyhexanoate has a molecular weight of 238.18 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-6-phosphonooxyhexanoate is sourced from PubChem (CID 58340254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).