1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane

C16H30O3 — CID 126592115

IUPAC1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane
SMILESC=COCCCCC(C)(C)OCCCC(C)OC=C
InChIInChI=1S/C16H30O3/c1-6-17-13-9-8-12-16(4,5)19-14-10-11-15(3)18-7-2/h6-7,15H,1-2,8-14H2,3-5H3
InChIKeyPGZQQFJPJABEJM-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.44
Rot. Bonds13

About 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane

1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane (PubChem CID 126592115) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane.

Molecular Properties

Compound Name1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane
PubChem CID126592115
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane
SMILESC=COCCCCC(C)(C)OCCCC(C)OC=C
InChIInChI=1S/C16H30O3/c1-6-17-13-9-8-12-16(4,5)19-14-10-11-15(3)18-7-2/h6-7,15H,1-2,8-14H2,3-5H3
InChIKeyPGZQQFJPJABEJM-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane?
The IUPAC name of 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane (CID 126592115) is 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane.
What is the SMILES notation for 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane?
The canonical SMILES for 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane is C=COCCCCC(C)(C)OCCCC(C)OC=C.
What is the InChIKey of 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane?
The InChIKey is PGZQQFJPJABEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-6-17-13-9-8-12-16(4,5)19-14-10-11-15(3)18-7-2/h6-7,15H,1-2,8-14H2,3-5H3.
What are the key properties of 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane?
1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane has a molecular weight of 270.41 g/mol, XLogP of 4.44, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-5-(4-ethenoxypentoxy)-5-methylhexane is sourced from PubChem (CID 126592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).