methyl 10-methylidenehexadecanoate

C18H34O2 — CID 87398703

IUPACmethyl 10-methylidenehexadecanoate
SMILESC=C(CCCCCC)CCCCCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-18(19)20-3/h2,4-16H2,1,3H3
InChIKeyLHICJVWRGLKDFU-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds14

About methyl 10-methylidenehexadecanoate

methyl 10-methylidenehexadecanoate (PubChem CID 87398703) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl 10-methylidenehexadecanoate.

Molecular Properties

Compound Namemethyl 10-methylidenehexadecanoate
PubChem CID87398703
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl 10-methylidenehexadecanoate
SMILESC=C(CCCCCC)CCCCCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-18(19)20-3/h2,4-16H2,1,3H3
InChIKeyLHICJVWRGLKDFU-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
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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Related Compounds

methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
dimethyl 4-methylidenedecanedioate
CID 10490360
methyl nonanoate;hydrochloride
CID 141151355
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
dimethyl 5-methylidenenonanedioate
CID 121012075
ethane;methyl hexanoate
CID 159004993

Frequently Asked Questions

What is the IUPAC name of methyl 10-methylidenehexadecanoate?
The IUPAC name of methyl 10-methylidenehexadecanoate (CID 87398703) is methyl 10-methylidenehexadecanoate.
What is the SMILES notation for methyl 10-methylidenehexadecanoate?
The canonical SMILES for methyl 10-methylidenehexadecanoate is C=C(CCCCCC)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-methylidenehexadecanoate?
The InChIKey is LHICJVWRGLKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-11-14-17(2)15-12-9-7-8-10-13-16-18(19)20-3/h2,4-16H2,1,3H3.
What are the key properties of methyl 10-methylidenehexadecanoate?
methyl 10-methylidenehexadecanoate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methylidenehexadecanoate is sourced from PubChem (CID 87398703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).