5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid

C15H26O5 — CID 87366519

IUPAC5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid
SMILESC=COCC(C)(OC(C)C)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C15H26O5/c1-7-18-10-15(6,19-11(2)3)20-13(5)9-8-12(4)14(16)17/h7,11,13H,1,4,8-10H2,2-3,5-6H3,(H,16,17)
InChIKeyVOCCMWPXZGIDKP-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.11
Rot. Bonds11

About 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid

5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid (PubChem CID 87366519) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid.

Molecular Properties

Compound Name5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid
PubChem CID87366519
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid
SMILESC=COCC(C)(OC(C)C)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C15H26O5/c1-7-18-10-15(6,19-11(2)3)20-13(5)9-8-12(4)14(16)17/h7,11,13H,1,4,8-10H2,2-3,5-6H3,(H,16,17)
InChIKeyVOCCMWPXZGIDKP-UHFFFAOYSA-N
XLogP3.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid?
The IUPAC name of 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid (CID 87366519) is 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid.
What is the SMILES notation for 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid?
The canonical SMILES for 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid is C=COCC(C)(OC(C)C)OC(C)CCC(=C)C(=O)O.
What is the InChIKey of 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid?
The InChIKey is VOCCMWPXZGIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-7-18-10-15(6,19-11(2)3)20-13(5)9-8-12(4)14(16)17/h7,11,13H,1,4,8-10H2,2-3,5-6H3,(H,16,17).
What are the key properties of 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid?
5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethenoxy-2-propan-2-yloxypropan-2-yl)oxy-2-methylidenehexanoic acid is sourced from PubChem (CID 87366519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).