methyl (5R)-5-hydroxy-3-methylidenedecanoate

C12H22O3 — CID 66552452

IUPACmethyl (5R)-5-hydroxy-3-methylidenedecanoate
SMILESC=C(CC(=O)OC)C[C@H](O)CCCCC
InChIInChI=1S/C12H22O3/c1-4-5-6-7-11(13)8-10(2)9-12(14)15-3/h11,13H,2,4-9H2,1,3H3/t11-/m1/s1
InChIKeyZWUXVYLFGVQKJV-LLVKDONJSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds8

About methyl (5R)-5-hydroxy-3-methylidenedecanoate

methyl (5R)-5-hydroxy-3-methylidenedecanoate (PubChem CID 66552452) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl (5R)-5-hydroxy-3-methylidenedecanoate.

Molecular Properties

Compound Namemethyl (5R)-5-hydroxy-3-methylidenedecanoate
PubChem CID66552452
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl (5R)-5-hydroxy-3-methylidenedecanoate
SMILESC=C(CC(=O)OC)C[C@H](O)CCCCC
InChIInChI=1S/C12H22O3/c1-4-5-6-7-11(13)8-10(2)9-12(14)15-3/h11,13H,2,4-9H2,1,3H3/t11-/m1/s1
InChIKeyZWUXVYLFGVQKJV-LLVKDONJSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5R)-5-hydroxy-3-methylidenedecanoate?
The IUPAC name of methyl (5R)-5-hydroxy-3-methylidenedecanoate (CID 66552452) is methyl (5R)-5-hydroxy-3-methylidenedecanoate.
What is the SMILES notation for methyl (5R)-5-hydroxy-3-methylidenedecanoate?
The canonical SMILES for methyl (5R)-5-hydroxy-3-methylidenedecanoate is C=C(CC(=O)OC)C[C@H](O)CCCCC.
What is the InChIKey of methyl (5R)-5-hydroxy-3-methylidenedecanoate?
The InChIKey is ZWUXVYLFGVQKJV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-7-11(13)8-10(2)9-12(14)15-3/h11,13H,2,4-9H2,1,3H3/t11-/m1/s1.
What are the key properties of methyl (5R)-5-hydroxy-3-methylidenedecanoate?
methyl (5R)-5-hydroxy-3-methylidenedecanoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-hydroxy-3-methylidenedecanoate is sourced from PubChem (CID 66552452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).