2-dec-1-en-3-yloxyacetic acid

C12H22O3 — CID 12648838

IUPAC2-dec-1-en-3-yloxyacetic acid
SMILESC=CC(CCCCCCC)OCC(=O)O
InChIInChI=1S/C12H22O3/c1-3-5-6-7-8-9-11(4-2)15-10-12(13)14/h4,11H,2-3,5-10H2,1H3,(H,13,14)
InChIKeyRHOJUBSDPDXNEI-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.00
Rot. Bonds10

About 2-dec-1-en-3-yloxyacetic acid

2-dec-1-en-3-yloxyacetic acid (PubChem CID 12648838) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-dec-1-en-3-yloxyacetic acid.

Molecular Properties

Compound Name2-dec-1-en-3-yloxyacetic acid
PubChem CID12648838
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-dec-1-en-3-yloxyacetic acid
SMILESC=CC(CCCCCCC)OCC(=O)O
InChIInChI=1S/C12H22O3/c1-3-5-6-7-8-9-11(4-2)15-10-12(13)14/h4,11H,2-3,5-10H2,1H3,(H,13,14)
InChIKeyRHOJUBSDPDXNEI-UHFFFAOYSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Nonen-3-ol, 3-acetate
CID 169364
1-Decen-3-ol, 3-acetate
CID 92618
Undec-1-en-3-yl acetate
CID 3023472
[(3R)-non-1-en-3-yl] acetate
CID 92281382
2-Hept-1-en-3-yloxyacetic acid
CID 10607291
2-((1-Ethenylhexyl)oxy)acetic acid
CID 12648843
[(3S)-non-1-en-3-yl] acetate
CID 90135237
2-(8,8-Difluorodec-1-en-5-yloxy)acetic acid
CID 146283341
Methoxyacetic acid, 10-undecenyl ester
CID 542173
dec-9-enyl (RS)-2-allyloxy-propionate
CID 11288647
3-Methyl-1,4-dioxacyclopentadec-6-en-2-one
CID 73115587
1,12-Tridecadien-3-yl acetate
CID 10911606

Frequently Asked Questions

What is the IUPAC name of 2-dec-1-en-3-yloxyacetic acid?
The IUPAC name of 2-dec-1-en-3-yloxyacetic acid (CID 12648838) is 2-dec-1-en-3-yloxyacetic acid.
What is the SMILES notation for 2-dec-1-en-3-yloxyacetic acid?
The canonical SMILES for 2-dec-1-en-3-yloxyacetic acid is C=CC(CCCCCCC)OCC(=O)O.
What is the InChIKey of 2-dec-1-en-3-yloxyacetic acid?
The InChIKey is RHOJUBSDPDXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-5-6-7-8-9-11(4-2)15-10-12(13)14/h4,11H,2-3,5-10H2,1H3,(H,13,14).
What are the key properties of 2-dec-1-en-3-yloxyacetic acid?
2-dec-1-en-3-yloxyacetic acid has a molecular weight of 214.30 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-en-3-yloxyacetic acid is sourced from PubChem (CID 12648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).