5-(ethenoxymethyl)-5-methylhept-1-ene

C11H20O — CID 118406225

IUPAC5-(ethenoxymethyl)-5-methylhept-1-ene
SMILESC=CCCC(C)(CC)COC=C
InChIInChI=1S/C11H20O/c1-5-8-9-11(4,6-2)10-12-7-3/h5,7H,1,3,6,8-10H2,2,4H3
InChIKeyBOCNFEHOAHEFPT-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.53
Rot. Bonds7

About 5-(ethenoxymethyl)-5-methylhept-1-ene

5-(ethenoxymethyl)-5-methylhept-1-ene (PubChem CID 118406225) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-(ethenoxymethyl)-5-methylhept-1-ene.

Molecular Properties

Compound Name5-(ethenoxymethyl)-5-methylhept-1-ene
PubChem CID118406225
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-(ethenoxymethyl)-5-methylhept-1-ene
SMILESC=CCCC(C)(CC)COC=C
InChIInChI=1S/C11H20O/c1-5-8-9-11(4,6-2)10-12-7-3/h5,7H,1,3,6,8-10H2,2,4H3
InChIKeyBOCNFEHOAHEFPT-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethenoxymethyl)-5-methylhept-1-ene?
The IUPAC name of 5-(ethenoxymethyl)-5-methylhept-1-ene (CID 118406225) is 5-(ethenoxymethyl)-5-methylhept-1-ene.
What is the SMILES notation for 5-(ethenoxymethyl)-5-methylhept-1-ene?
The canonical SMILES for 5-(ethenoxymethyl)-5-methylhept-1-ene is C=CCCC(C)(CC)COC=C.
What is the InChIKey of 5-(ethenoxymethyl)-5-methylhept-1-ene?
The InChIKey is BOCNFEHOAHEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-8-9-11(4,6-2)10-12-7-3/h5,7H,1,3,6,8-10H2,2,4H3.
What are the key properties of 5-(ethenoxymethyl)-5-methylhept-1-ene?
5-(ethenoxymethyl)-5-methylhept-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenoxymethyl)-5-methylhept-1-ene is sourced from PubChem (CID 118406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).