1-hydroxyoctyl prop-2-enoate

C11H20O3 — CID 22340227

IUPAC1-hydroxyoctyl prop-2-enoate
SMILESC=CC(=O)OC(O)CCCCCCC
InChIInChI=1S/C11H20O3/c1-3-5-6-7-8-9-11(13)14-10(12)4-2/h4,11,13H,2-3,5-9H2,1H3
InChIKeyFTPHRZURWJHFPV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.39
Rot. Bonds8

About 1-hydroxyoctyl prop-2-enoate

1-hydroxyoctyl prop-2-enoate (PubChem CID 22340227) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-hydroxyoctyl prop-2-enoate.

Molecular Properties

Compound Name1-hydroxyoctyl prop-2-enoate
PubChem CID22340227
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-hydroxyoctyl prop-2-enoate
SMILESC=CC(=O)OC(O)CCCCCCC
InChIInChI=1S/C11H20O3/c1-3-5-6-7-8-9-11(13)14-10(12)4-2/h4,11,13H,2-3,5-9H2,1H3
InChIKeyFTPHRZURWJHFPV-UHFFFAOYSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
octadecan-6-yl prop-2-enoate
CID 91523695
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
1-iodotridecyl prop-2-enoate
CID 90218413
1-hydroxyoctadecyl 3-methylbut-2-enoate
CID 141226379
dodecan-3-yl prop-2-enoate
CID 543279
bis(1-hydroxydodecyl) carbonate
CID 141306739
1-hydroxybutyl prop-2-enoate;prop-2-en-1-ol
CID 88525550
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyoctyl prop-2-enoate?
The IUPAC name of 1-hydroxyoctyl prop-2-enoate (CID 22340227) is 1-hydroxyoctyl prop-2-enoate.
What is the SMILES notation for 1-hydroxyoctyl prop-2-enoate?
The canonical SMILES for 1-hydroxyoctyl prop-2-enoate is C=CC(=O)OC(O)CCCCCCC.
What is the InChIKey of 1-hydroxyoctyl prop-2-enoate?
The InChIKey is FTPHRZURWJHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-6-7-8-9-11(13)14-10(12)4-2/h4,11,13H,2-3,5-9H2,1H3.
What are the key properties of 1-hydroxyoctyl prop-2-enoate?
1-hydroxyoctyl prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyoctyl prop-2-enoate is sourced from PubChem (CID 22340227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).