3-oxo-3-undec-10-en-2-yloxypropanoic acid

C14H24O4 — CID 54309534

IUPAC3-oxo-3-undec-10-en-2-yloxypropanoic acid
SMILESC=CCCCCCCCC(C)OC(=O)CC(=O)O
InChIInChI=1S/C14H24O4/c1-3-4-5-6-7-8-9-10-12(2)18-14(17)11-13(15)16/h3,12H,1,4-11H2,2H3,(H,15,16)
InChIKeySJXVJBPGMQHZNL-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.31
Rot. Bonds11

About 3-oxo-3-undec-10-en-2-yloxypropanoic acid

3-oxo-3-undec-10-en-2-yloxypropanoic acid (PubChem CID 54309534) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-oxo-3-undec-10-en-2-yloxypropanoic acid.

Molecular Properties

Compound Name3-oxo-3-undec-10-en-2-yloxypropanoic acid
PubChem CID54309534
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-oxo-3-undec-10-en-2-yloxypropanoic acid
SMILESC=CCCCCCCCC(C)OC(=O)CC(=O)O
InChIInChI=1S/C14H24O4/c1-3-4-5-6-7-8-9-10-12(2)18-14(17)11-13(15)16/h3,12H,1,4-11H2,2H3,(H,15,16)
InChIKeySJXVJBPGMQHZNL-UHFFFAOYSA-N
XLogP3.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
3-hexan-2-yloxy-3-oxopropanoic acid
CID 87839274
non-8-en-2-ylcarbamic acid
CID 175945835
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715
(2R)-2-methylnon-8-enoic acid
CID 129385535
methyl (2R)-2-methylnon-8-enoate
CID 58289580
hex-5-en-2-yl 2-iodoacetate
CID 11065424
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155760043
nonacosa-1,28-dien-15-yl acetate
CID 101064980
23-[(Z)-icos-11-enoyl]oxytetracosanoic acid
CID 134720560
23-[(Z)-tetradec-9-enoyl]oxytetracosanoic acid
CID 134757002

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-undec-10-en-2-yloxypropanoic acid?
The IUPAC name of 3-oxo-3-undec-10-en-2-yloxypropanoic acid (CID 54309534) is 3-oxo-3-undec-10-en-2-yloxypropanoic acid.
What is the SMILES notation for 3-oxo-3-undec-10-en-2-yloxypropanoic acid?
The canonical SMILES for 3-oxo-3-undec-10-en-2-yloxypropanoic acid is C=CCCCCCCCC(C)OC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-undec-10-en-2-yloxypropanoic acid?
The InChIKey is SJXVJBPGMQHZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-4-5-6-7-8-9-10-12(2)18-14(17)11-13(15)16/h3,12H,1,4-11H2,2H3,(H,15,16).
What are the key properties of 3-oxo-3-undec-10-en-2-yloxypropanoic acid?
3-oxo-3-undec-10-en-2-yloxypropanoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-undec-10-en-2-yloxypropanoic acid is sourced from PubChem (CID 54309534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).