methyl 2-(2-methyldec-1-enoxy)butanoate

C16H30O3 — CID 175395060

IUPACmethyl 2-(2-methyldec-1-enoxy)butanoate
SMILESCCCCCCCCC(C)=COC(CC)C(=O)OC
InChIInChI=1S/C16H30O3/c1-5-7-8-9-10-11-12-14(3)13-19-15(6-2)16(17)18-4/h13,15H,5-12H2,1-4H3
InChIKeyRYZFCKDUUSUZJS-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.61
Rot. Bonds11

About methyl 2-(2-methyldec-1-enoxy)butanoate

methyl 2-(2-methyldec-1-enoxy)butanoate (PubChem CID 175395060) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methyl 2-(2-methyldec-1-enoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyldec-1-enoxy)butanoate
PubChem CID175395060
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethyl 2-(2-methyldec-1-enoxy)butanoate
SMILESCCCCCCCCC(C)=COC(CC)C(=O)OC
InChIInChI=1S/C16H30O3/c1-5-7-8-9-10-11-12-14(3)13-19-15(6-2)16(17)18-4/h13,15H,5-12H2,1-4H3
InChIKeyRYZFCKDUUSUZJS-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-methyloct-2-enoate
CID 14332772
1-ethoxy-2-methylundec-1-ene
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ethyl 2-acetyl-4-methyltridec-3-enoate
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3-methylpentadec-2-enamide
CID 174903366
methyl 2-methoxyheptanoate
CID 87952097
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
methyl 2-fluoro-3-oxododecanoate
CID 141197568
methyl 2-acetyl-3-oxooctanoate
CID 10976817
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
methyl 2-(hexadecanoylamino)-3-oxohexadecanoate
CID 102380444

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyldec-1-enoxy)butanoate?
The IUPAC name of methyl 2-(2-methyldec-1-enoxy)butanoate (CID 175395060) is methyl 2-(2-methyldec-1-enoxy)butanoate.
What is the SMILES notation for methyl 2-(2-methyldec-1-enoxy)butanoate?
The canonical SMILES for methyl 2-(2-methyldec-1-enoxy)butanoate is CCCCCCCCC(C)=COC(CC)C(=O)OC.
What is the InChIKey of methyl 2-(2-methyldec-1-enoxy)butanoate?
The InChIKey is RYZFCKDUUSUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-7-8-9-10-11-12-14(3)13-19-15(6-2)16(17)18-4/h13,15H,5-12H2,1-4H3.
What are the key properties of methyl 2-(2-methyldec-1-enoxy)butanoate?
methyl 2-(2-methyldec-1-enoxy)butanoate has a molecular weight of 270.41 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyldec-1-enoxy)butanoate is sourced from PubChem (CID 175395060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).