methyl 3-hydroxy-2-methylidenenonanoate

C11H20O3 — CID 11171640

IUPACmethyl 3-hydroxy-2-methylidenenonanoate
SMILESC=C(C(=O)OC)C(O)CCCCCC
InChIInChI=1S/C11H20O3/c1-4-5-6-7-8-10(12)9(2)11(13)14-3/h10,12H,2,4-8H2,1,3H3
InChIKeyLHBFJRKVQGSQOV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds7

About methyl 3-hydroxy-2-methylidenenonanoate

methyl 3-hydroxy-2-methylidenenonanoate (PubChem CID 11171640) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methylidenenonanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methylidenenonanoate
PubChem CID11171640
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-hydroxy-2-methylidenenonanoate
SMILESC=C(C(=O)OC)C(O)CCCCCC
InChIInChI=1S/C11H20O3/c1-4-5-6-7-8-10(12)9(2)11(13)14-3/h10,12H,2,4-8H2,1,3H3
InChIKeyLHBFJRKVQGSQOV-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
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 3-hydroxy-2-methylidenenonanoate?
The IUPAC name of methyl 3-hydroxy-2-methylidenenonanoate (CID 11171640) is methyl 3-hydroxy-2-methylidenenonanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methylidenenonanoate?
The canonical SMILES for methyl 3-hydroxy-2-methylidenenonanoate is C=C(C(=O)OC)C(O)CCCCCC.
What is the InChIKey of methyl 3-hydroxy-2-methylidenenonanoate?
The InChIKey is LHBFJRKVQGSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-6-7-8-10(12)9(2)11(13)14-3/h10,12H,2,4-8H2,1,3H3.
What are the key properties of methyl 3-hydroxy-2-methylidenenonanoate?
methyl 3-hydroxy-2-methylidenenonanoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methylidenenonanoate is sourced from PubChem (CID 11171640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).