methyl 2-hydroxyundec-10-enoate

C12H22O3 — CID 565250

IUPACmethyl 2-hydroxyundec-10-enoate
SMILESC=CCCCCCCCC(O)C(=O)OC
InChIInChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-10-11(13)12(14)15-2/h3,11,13H,1,4-10H2,2H3
InChIKeyFNDHOARZTUZRCW-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds9

About methyl 2-hydroxyundec-10-enoate

methyl 2-hydroxyundec-10-enoate (PubChem CID 565250) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 2-hydroxyundec-10-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxyundec-10-enoate
PubChem CID565250
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 2-hydroxyundec-10-enoate
SMILESC=CCCCCCCCC(O)C(=O)OC
InChIInChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-10-11(13)12(14)15-2/h3,11,13H,1,4-10H2,2H3
InChIKeyFNDHOARZTUZRCW-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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 2-hydroxyundec-10-enoate?
The IUPAC name of methyl 2-hydroxyundec-10-enoate (CID 565250) is methyl 2-hydroxyundec-10-enoate.
What is the SMILES notation for methyl 2-hydroxyundec-10-enoate?
The canonical SMILES for methyl 2-hydroxyundec-10-enoate is C=CCCCCCCCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxyundec-10-enoate?
The InChIKey is FNDHOARZTUZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-4-5-6-7-8-9-10-11(13)12(14)15-2/h3,11,13H,1,4-10H2,2H3.
What are the key properties of methyl 2-hydroxyundec-10-enoate?
methyl 2-hydroxyundec-10-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyundec-10-enoate is sourced from PubChem (CID 565250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).