1-ethenoxy-6-propan-2-yloxyhexane

C11H22O2 — CID 59532985

IUPAC1-ethenoxy-6-propan-2-yloxyhexane
SMILESC=COCCCCCCOC(C)C
InChIInChI=1S/C11H22O2/c1-4-12-9-7-5-6-8-10-13-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyMJKIFAACDGCUAJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds9

About 1-ethenoxy-6-propan-2-yloxyhexane

1-ethenoxy-6-propan-2-yloxyhexane (PubChem CID 59532985) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-ethenoxy-6-propan-2-yloxyhexane.

Molecular Properties

Compound Name1-ethenoxy-6-propan-2-yloxyhexane
PubChem CID59532985
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-ethenoxy-6-propan-2-yloxyhexane
SMILESC=COCCCCCCOC(C)C
InChIInChI=1S/C11H22O2/c1-4-12-9-7-5-6-8-10-13-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyMJKIFAACDGCUAJ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-propan-2-yloxyhexane?
The IUPAC name of 1-ethenoxy-6-propan-2-yloxyhexane (CID 59532985) is 1-ethenoxy-6-propan-2-yloxyhexane.
What is the SMILES notation for 1-ethenoxy-6-propan-2-yloxyhexane?
The canonical SMILES for 1-ethenoxy-6-propan-2-yloxyhexane is C=COCCCCCCOC(C)C.
What is the InChIKey of 1-ethenoxy-6-propan-2-yloxyhexane?
The InChIKey is MJKIFAACDGCUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-12-9-7-5-6-8-10-13-11(2)3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 1-ethenoxy-6-propan-2-yloxyhexane?
1-ethenoxy-6-propan-2-yloxyhexane has a molecular weight of 186.29 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-6-propan-2-yloxyhexane is sourced from PubChem (CID 59532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).