5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid

C14H24O5 — CID 87337267

IUPAC5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid
SMILESC=COCCOC(C)(C)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C14H24O5/c1-6-17-9-10-18-14(4,5)19-12(3)8-7-11(2)13(15)16/h6,12H,1-2,7-10H2,3-5H3,(H,15,16)
InChIKeyZGEAQGOQSMVWAZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.73
Rot. Bonds11

About 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid

5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid (PubChem CID 87337267) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid.

Molecular Properties

Compound Name5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid
PubChem CID87337267
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid
SMILESC=COCCOC(C)(C)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C14H24O5/c1-6-17-9-10-18-14(4,5)19-12(3)8-7-11(2)13(15)16/h6,12H,1-2,7-10H2,3-5H3,(H,15,16)
InChIKeyZGEAQGOQSMVWAZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid?
The IUPAC name of 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid (CID 87337267) is 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid.
What is the SMILES notation for 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid?
The canonical SMILES for 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid is C=COCCOC(C)(C)OC(C)CCC(=C)C(=O)O.
What is the InChIKey of 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid?
The InChIKey is ZGEAQGOQSMVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-17-9-10-18-14(4,5)19-12(3)8-7-11(2)13(15)16/h6,12H,1-2,7-10H2,3-5H3,(H,15,16).
What are the key properties of 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid?
5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 2.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethenoxyethoxy)propan-2-yloxy]-2-methylidenehexanoic acid is sourced from PubChem (CID 87337267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).