3-ethenoxy-3-methyloctane

C11H22O — CID 18690634

IUPAC3-ethenoxy-3-methyloctane
SMILESC=COC(C)(CC)CCCCC
InChIInChI=1S/C11H22O/c1-5-8-9-10-11(4,6-2)12-7-3/h7H,3,5-6,8-10H2,1-2,4H3
InChIKeyPFHJXTQMYHZLNI-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.90
Rot. Bonds7

About 3-ethenoxy-3-methyloctane

3-ethenoxy-3-methyloctane (PubChem CID 18690634) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-ethenoxy-3-methyloctane.

Molecular Properties

Compound Name3-ethenoxy-3-methyloctane
PubChem CID18690634
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-ethenoxy-3-methyloctane
SMILESC=COC(C)(CC)CCCCC
InChIInChI=1S/C11H22O/c1-5-8-9-10-11(4,6-2)12-7-3/h7H,3,5-6,8-10H2,1-2,4H3
InChIKeyPFHJXTQMYHZLNI-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethenoxy-3-methyloctane?
The IUPAC name of 3-ethenoxy-3-methyloctane (CID 18690634) is 3-ethenoxy-3-methyloctane.
What is the SMILES notation for 3-ethenoxy-3-methyloctane?
The canonical SMILES for 3-ethenoxy-3-methyloctane is C=COC(C)(CC)CCCCC.
What is the InChIKey of 3-ethenoxy-3-methyloctane?
The InChIKey is PFHJXTQMYHZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8-9-10-11(4,6-2)12-7-3/h7H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of 3-ethenoxy-3-methyloctane?
3-ethenoxy-3-methyloctane has a molecular weight of 170.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-3-methyloctane is sourced from PubChem (CID 18690634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).