methyl 5-hydroxydec-7-enoate

C11H20O3 — CID 175764045

IUPACmethyl 5-hydroxydec-7-enoate
SMILESCCC=CCC(O)CCCC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyIZGWXNOWSBCZAJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds7

About methyl 5-hydroxydec-7-enoate

methyl 5-hydroxydec-7-enoate (PubChem CID 175764045) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 5-hydroxydec-7-enoate.

Molecular Properties

Compound Namemethyl 5-hydroxydec-7-enoate
PubChem CID175764045
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 5-hydroxydec-7-enoate
SMILESCCC=CCC(O)CCCC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyIZGWXNOWSBCZAJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
CID 175883907
CID 175883907
methyl 9-hydroxyoctadeca-12,15-dienoate
CID 86104708
12-hydroxyheptadec-14-enoic acid
CID 169277009
17-hydroxydocos-19-enoic acid
CID 169277016
methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate
CID 134166246
methyl 9,10,13-trihydroxyoctadeca-11,15-dienoate
CID 163048418
methyl 5,7-dihydroxynonanoate
CID 143918618
methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
CID 10448018
methyl (Z)-octadec-15-enoate
CID 12963319

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxydec-7-enoate?
The IUPAC name of methyl 5-hydroxydec-7-enoate (CID 175764045) is methyl 5-hydroxydec-7-enoate.
What is the SMILES notation for methyl 5-hydroxydec-7-enoate?
The canonical SMILES for methyl 5-hydroxydec-7-enoate is CCC=CCC(O)CCCC(=O)OC.
What is the InChIKey of methyl 5-hydroxydec-7-enoate?
The InChIKey is IZGWXNOWSBCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of methyl 5-hydroxydec-7-enoate?
methyl 5-hydroxydec-7-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxydec-7-enoate is sourced from PubChem (CID 175764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).