methyl 10-methylideneoctadecanoate

C20H38O2 — CID 593519

IUPACmethyl 10-methylideneoctadecanoate
SMILESC=C(CCCCCCCC)CCCCCCCCC(=O)OC
InChIInChI=1S/C20H38O2/c1-4-5-6-7-10-13-16-19(2)17-14-11-8-9-12-15-18-20(21)22-3/h2,4-18H2,1,3H3
InChIKeyCNHYVOZIVKPZAW-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.59
Rot. Bonds16

About methyl 10-methylideneoctadecanoate

methyl 10-methylideneoctadecanoate (PubChem CID 593519) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is methyl 10-methylideneoctadecanoate.

Molecular Properties

Compound Namemethyl 10-methylideneoctadecanoate
PubChem CID593519
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Namemethyl 10-methylideneoctadecanoate
SMILESC=C(CCCCCCCC)CCCCCCCCC(=O)OC
InChIInChI=1S/C20H38O2/c1-4-5-6-7-10-13-16-19(2)17-14-11-8-9-12-15-18-20(21)22-3/h2,4-18H2,1,3H3
InChIKeyCNHYVOZIVKPZAW-UHFFFAOYSA-N
XLogP6.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.59
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 10-methylideneoctadecanoate?
The IUPAC name of methyl 10-methylideneoctadecanoate (CID 593519) is methyl 10-methylideneoctadecanoate.
What is the SMILES notation for methyl 10-methylideneoctadecanoate?
The canonical SMILES for methyl 10-methylideneoctadecanoate is C=C(CCCCCCCC)CCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-methylideneoctadecanoate?
The InChIKey is CNHYVOZIVKPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-4-5-6-7-10-13-16-19(2)17-14-11-8-9-12-15-18-20(21)22-3/h2,4-18H2,1,3H3.
What are the key properties of methyl 10-methylideneoctadecanoate?
methyl 10-methylideneoctadecanoate has a molecular weight of 310.52 g/mol, XLogP of 6.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methylideneoctadecanoate is sourced from PubChem (CID 593519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).