methyl 2-hydroxynon-7-enoate

C10H18O3 — CID 174951133

IUPACmethyl 2-hydroxynon-7-enoate
SMILESCC=CCCCCC(O)C(=O)OC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(11)10(12)13-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyYNIKBFHYHXKTKW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds6

About methyl 2-hydroxynon-7-enoate

methyl 2-hydroxynon-7-enoate (PubChem CID 174951133) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-hydroxynon-7-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxynon-7-enoate
PubChem CID174951133
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 2-hydroxynon-7-enoate
SMILESCC=CCCCCC(O)C(=O)OC
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(11)10(12)13-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyYNIKBFHYHXKTKW-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoate
CID 20839371
methyl (2S)-2-hydroxyheptanoate
CID 71444954
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
2-methylnon-7-enamide
CID 142782091
(E)-non-7-en-2-ol
CID 14615052
8-methylnonyl (E)-undec-9-enoate
CID 130425316
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
2-hydroxyhexadecanoyl (Z)-octadec-9-enoate
CID 174793668
tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
(E)-2-methylnon-7-enoic acid
CID 146276957

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxynon-7-enoate?
The IUPAC name of methyl 2-hydroxynon-7-enoate (CID 174951133) is methyl 2-hydroxynon-7-enoate.
What is the SMILES notation for methyl 2-hydroxynon-7-enoate?
The canonical SMILES for methyl 2-hydroxynon-7-enoate is CC=CCCCCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxynon-7-enoate?
The InChIKey is YNIKBFHYHXKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(11)10(12)13-2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of methyl 2-hydroxynon-7-enoate?
methyl 2-hydroxynon-7-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxynon-7-enoate is sourced from PubChem (CID 174951133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).