methyl 2-prop-1-enylidenedodecanoate

C16H28O2 — CID 134983662

IUPACmethyl 2-prop-1-enylidenedodecanoate
SMILESCC=C=C(CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-14-15(13-5-2)16(17)18-3/h5H,4,6-12,14H2,1-3H3
InChIKeyJTYIXUPWBHORCF-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.79
Rot. Bonds10

About methyl 2-prop-1-enylidenedodecanoate

methyl 2-prop-1-enylidenedodecanoate (PubChem CID 134983662) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is methyl 2-prop-1-enylidenedodecanoate.

Molecular Properties

Compound Namemethyl 2-prop-1-enylidenedodecanoate
PubChem CID134983662
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Namemethyl 2-prop-1-enylidenedodecanoate
SMILESCC=C=C(CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-14-15(13-5-2)16(17)18-3/h5H,4,6-12,14H2,1-3H3
InChIKeyJTYIXUPWBHORCF-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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dimethyl 2-decyl-3-ethylbut-2-enedioate
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methyl heptadecanoate
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methyl tetradecanoate
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methyl octadecanoate;methyl octanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-enylidenedodecanoate?
The IUPAC name of methyl 2-prop-1-enylidenedodecanoate (CID 134983662) is methyl 2-prop-1-enylidenedodecanoate.
What is the SMILES notation for methyl 2-prop-1-enylidenedodecanoate?
The canonical SMILES for methyl 2-prop-1-enylidenedodecanoate is CC=C=C(CCCCCCCCCC)C(=O)OC.
What is the InChIKey of methyl 2-prop-1-enylidenedodecanoate?
The InChIKey is JTYIXUPWBHORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-14-15(13-5-2)16(17)18-3/h5H,4,6-12,14H2,1-3H3.
What are the key properties of methyl 2-prop-1-enylidenedodecanoate?
methyl 2-prop-1-enylidenedodecanoate has a molecular weight of 252.40 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-enylidenedodecanoate is sourced from PubChem (CID 134983662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).