8-hydroxyoctyl 2-methylprop-2-enoate

C12H22O3 — CID 10081970

IUPAC8-hydroxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCO
InChIInChI=1S/C12H22O3/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h13H,1,3-10H2,2H3
InChIKeyYPMOAQISONSSNL-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds9

About 8-hydroxyoctyl 2-methylprop-2-enoate

8-hydroxyoctyl 2-methylprop-2-enoate (PubChem CID 10081970) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 8-hydroxyoctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-hydroxyoctyl 2-methylprop-2-enoate
PubChem CID10081970
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name8-hydroxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCO
InChIInChI=1S/C12H22O3/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h13H,1,3-10H2,2H3
InChIKeyYPMOAQISONSSNL-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctyl 2-methylprop-2-enoate?
The IUPAC name of 8-hydroxyoctyl 2-methylprop-2-enoate (CID 10081970) is 8-hydroxyoctyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-hydroxyoctyl 2-methylprop-2-enoate?
The canonical SMILES for 8-hydroxyoctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCO.
What is the InChIKey of 8-hydroxyoctyl 2-methylprop-2-enoate?
The InChIKey is YPMOAQISONSSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h13H,1,3-10H2,2H3.
What are the key properties of 8-hydroxyoctyl 2-methylprop-2-enoate?
8-hydroxyoctyl 2-methylprop-2-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 8-hydroxyoctyl 2-methylprop-2-enoate is sourced from PubChem (CID 10081970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).