3-(ethenoxymethyl)-3-ethyloctane

C13H26O — CID 150105335

IUPAC3-(ethenoxymethyl)-3-ethyloctane
SMILESC=COCC(CC)(CC)CCCCC
InChIInChI=1S/C13H26O/c1-5-9-10-11-13(6-2,7-3)12-14-8-4/h8H,4-7,9-12H2,1-3H3
InChIKeyDWCUHIXQRZPMBH-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.53
Rot. Bonds9

About 3-(ethenoxymethyl)-3-ethyloctane

3-(ethenoxymethyl)-3-ethyloctane (PubChem CID 150105335) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethyloctane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethyloctane
PubChem CID150105335
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-(ethenoxymethyl)-3-ethyloctane
SMILESC=COCC(CC)(CC)CCCCC
InChIInChI=1S/C13H26O/c1-5-9-10-11-13(6-2,7-3)12-14-8-4/h8H,4-7,9-12H2,1-3H3
InChIKeyDWCUHIXQRZPMBH-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.53
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-(ethenoxymethyl)-3-ethyloctane?
The IUPAC name of 3-(ethenoxymethyl)-3-ethyloctane (CID 150105335) is 3-(ethenoxymethyl)-3-ethyloctane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethyloctane?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethyloctane is C=COCC(CC)(CC)CCCCC.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethyloctane?
The InChIKey is DWCUHIXQRZPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-9-10-11-13(6-2,7-3)12-14-8-4/h8H,4-7,9-12H2,1-3H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethyloctane?
3-(ethenoxymethyl)-3-ethyloctane has a molecular weight of 198.35 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-ethyloctane is sourced from PubChem (CID 150105335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).