methyl non-8-enoate

C10H18O2 — CID 554043

IUPACmethyl non-8-enoate
SMILESC=CCCCCCCC(=O)OC
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3
InChIKeyPWAJIGUTWKGVLP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.69
Rot. Bonds7

About methyl non-8-enoate

methyl non-8-enoate (PubChem CID 554043) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is methyl non-8-enoate.

Molecular Properties

Compound Namemethyl non-8-enoate
PubChem CID554043
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namemethyl non-8-enoate
SMILESC=CCCCCCCC(=O)OC
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3
InChIKeyPWAJIGUTWKGVLP-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl non-8-enoate?
The IUPAC name of methyl non-8-enoate (CID 554043) is methyl non-8-enoate.
What is the SMILES notation for methyl non-8-enoate?
The canonical SMILES for methyl non-8-enoate is C=CCCCCCCC(=O)OC.
What is the InChIKey of methyl non-8-enoate?
The InChIKey is PWAJIGUTWKGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3.
What are the key properties of methyl non-8-enoate?
methyl non-8-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl non-8-enoate is sourced from PubChem (CID 554043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).