methyl 4-hydroxy-2-methylidenedodecanoate

C14H26O3 — CID 135040807

IUPACmethyl 4-hydroxy-2-methylidenedodecanoate
SMILESC=C(CC(O)CCCCCCCC)C(=O)OC
InChIInChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-13(15)11-12(2)14(16)17-3/h13,15H,2,4-11H2,1,3H3
InChIKeyCOSCYIJCKILBGG-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.22
Rot. Bonds10

About methyl 4-hydroxy-2-methylidenedodecanoate

methyl 4-hydroxy-2-methylidenedodecanoate (PubChem CID 135040807) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methylidenedodecanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methylidenedodecanoate
PubChem CID135040807
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl 4-hydroxy-2-methylidenedodecanoate
SMILESC=C(CC(O)CCCCCCCC)C(=O)OC
InChIInChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-13(15)11-12(2)14(16)17-3/h13,15H,2,4-11H2,1,3H3
InChIKeyCOSCYIJCKILBGG-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methylidenedodecanoate?
The IUPAC name of methyl 4-hydroxy-2-methylidenedodecanoate (CID 135040807) is methyl 4-hydroxy-2-methylidenedodecanoate.
What is the SMILES notation for methyl 4-hydroxy-2-methylidenedodecanoate?
The canonical SMILES for methyl 4-hydroxy-2-methylidenedodecanoate is C=C(CC(O)CCCCCCCC)C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-methylidenedodecanoate?
The InChIKey is COSCYIJCKILBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-5-6-7-8-9-10-13(15)11-12(2)14(16)17-3/h13,15H,2,4-11H2,1,3H3.
What are the key properties of methyl 4-hydroxy-2-methylidenedodecanoate?
methyl 4-hydroxy-2-methylidenedodecanoate has a molecular weight of 242.36 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methylidenedodecanoate is sourced from PubChem (CID 135040807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).