3-(ethenoxymethyl)-3-methyloxepane

C10H18O2 — CID 176603072

IUPAC3-(ethenoxymethyl)-3-methyloxepane
SMILESC=COCC1(C)CCCCOC1
InChIInChI=1S/C10H18O2/c1-3-11-8-10(2)6-4-5-7-12-9-10/h3H,1,4-9H2,2H3
InChIKeyBVCVPEXDJZBAMQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 3-(ethenoxymethyl)-3-methyloxepane

3-(ethenoxymethyl)-3-methyloxepane (PubChem CID 176603072) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-methyloxepane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-methyloxepane
PubChem CID176603072
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(ethenoxymethyl)-3-methyloxepane
SMILESC=COCC1(C)CCCCOC1
InChIInChI=1S/C10H18O2/c1-3-11-8-10(2)6-4-5-7-12-9-10/h3H,1,4-9H2,2H3
InChIKeyBVCVPEXDJZBAMQ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-(2-methylprop-1-enoxymethyl)oxepane
CID 176604834

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-methyloxepane?
The IUPAC name of 3-(ethenoxymethyl)-3-methyloxepane (CID 176603072) is 3-(ethenoxymethyl)-3-methyloxepane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-methyloxepane?
The canonical SMILES for 3-(ethenoxymethyl)-3-methyloxepane is C=COCC1(C)CCCCOC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-methyloxepane?
The InChIKey is BVCVPEXDJZBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-8-10(2)6-4-5-7-12-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-methyloxepane?
3-(ethenoxymethyl)-3-methyloxepane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-methyloxepane is sourced from PubChem (CID 176603072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).