manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate

C10H18MnO4 — CID 177498616

IUPACmanganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate
SMILESC=CCCCC(C(=O)OC)C(O)OC.[Mn]
InChIInChI=1S/C10H18O4.Mn/c1-4-5-6-7-8(9(11)13-2)10(12)14-3;/h4,8-9,11H,1,5-7H2,2-3H3;
InChIKeyYBTBRKXJXPJVQD-UHFFFAOYSA-N
MW257.19 g/mol
LogP1.09
Rot. Bonds7

About manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate

manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate (PubChem CID 177498616) has the molecular formula C10H18MnO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate.

Molecular Properties

Compound Namemanganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate
PubChem CID177498616
Molecular FormulaC10H18MnO4
Molecular Weight257.19 g/mol
Exact Mass257.06
IUPAC Namemanganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate
SMILESC=CCCCC(C(=O)OC)C(O)OC.[Mn]
InChIInChI=1S/C10H18O4.Mn/c1-4-5-6-7-8(9(11)13-2)10(12)14-3;/h4,8-9,11H,1,5-7H2,2-3H3;
InChIKeyYBTBRKXJXPJVQD-UHFFFAOYSA-N
XLogP1.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-ethyl-3-hydroxyhept-6-enoate
CID 86646120
4-Ethyl-3-hydroxyhept-6-enoic acid
CID 86646121
(3R)-3-{[(2S)-2-Methylpent-4-enoyl]oxy}hexanoic acid
CID 71366804
methyl (3S,4R)-3-hydroxy-4-methylhept-6-enoate
CID 102528488
dimethyl 2-[(Z)-7-hydroxyhept-4-enyl]propanedioate
CID 135084199
Ethyl 2-ethenyl-3-hydroxyhexanoate
CID 295904
2-(Hydroxymethyl)hept-6-enoic acid
CID 18457520
Methyl 2-(1-hydroxyethyl)-6-heptenoate
CID 22245821
Ethyl 2-(4-methyl-1,3-dioxetan-2-yl)hept-6-enoate
CID 67962458
Ethyl 3-hydroxy-2-methylhept-6-enoate
CID 85700288
Methyl 4-methyl-3-hydroxyhept-6-enoate
CID 86646118
(2R,3R)-3-Methoxy-2-methylhept-6-enoic acid
CID 86675866

Frequently Asked Questions

What is the IUPAC name of manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate?
The IUPAC name of manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate (CID 177498616) is manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate.
What is the SMILES notation for manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate?
The canonical SMILES for manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate is C=CCCCC(C(=O)OC)C(O)OC.[Mn].
What is the InChIKey of manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate?
The InChIKey is YBTBRKXJXPJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Mn/c1-4-5-6-7-8(9(11)13-2)10(12)14-3;/h4,8-9,11H,1,5-7H2,2-3H3;.
What are the key properties of manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate?
manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate has a molecular weight of 257.19 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;methyl 2-[hydroxy(methoxy)methyl]hept-6-enoate is sourced from PubChem (CID 177498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).