methyl decanoate

C11H22O2 — CID 8050

IUPACmethyl decanoate
SMILESCCCCCCCCCC(=O)OC
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKeyYRHYCMZPEVDGFQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.30
Rot. Bonds8

About methyl decanoate

methyl decanoate (PubChem CID 8050) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is methyl decanoate.

Molecular Properties

Compound Namemethyl decanoate
PubChem CID8050
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namemethyl decanoate
SMILESCCCCCCCCCC(=O)OC
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKeyYRHYCMZPEVDGFQ-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Myristic Acid
CID 11005
Undecanoic Acid
CID 8180
Isopropyl Myristate
CID 8042
Tridecanoic acid
CID 12530
Methyl Palmitate
CID 8181
Dibutyl Sebacate
CID 7986
Isopropyl Palmitate
CID 8907
Methyl Laurate
CID 8139

Frequently Asked Questions

What is the IUPAC name of methyl decanoate?
The IUPAC name of methyl decanoate (CID 8050) is methyl decanoate.
What is the SMILES notation for methyl decanoate?
The canonical SMILES for methyl decanoate is CCCCCCCCCC(=O)OC.
What is the InChIKey of methyl decanoate?
The InChIKey is YRHYCMZPEVDGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3.
What are the key properties of methyl decanoate?
methyl decanoate has a molecular weight of 186.29 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl decanoate is sourced from PubChem (CID 8050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).