6-ethoxy-2,6-dimethylhept-1-ene

C11H22O — CID 54229525

IUPAC6-ethoxy-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)(C)OCC
InChIInChI=1S/C11H22O/c1-6-12-11(4,5)9-7-8-10(2)3/h2,6-9H2,1,3-5H3
InChIKeyJHABUYLUFVSVIQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds6

About 6-ethoxy-2,6-dimethylhept-1-ene

6-ethoxy-2,6-dimethylhept-1-ene (PubChem CID 54229525) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-ethoxy-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name6-ethoxy-2,6-dimethylhept-1-ene
PubChem CID54229525
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name6-ethoxy-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)(C)OCC
InChIInChI=1S/C11H22O/c1-6-12-11(4,5)9-7-8-10(2)3/h2,6-9H2,1,3-5H3
InChIKeyJHABUYLUFVSVIQ-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,6-dimethylhept-1-ene?
The IUPAC name of 6-ethoxy-2,6-dimethylhept-1-ene (CID 54229525) is 6-ethoxy-2,6-dimethylhept-1-ene.
What is the SMILES notation for 6-ethoxy-2,6-dimethylhept-1-ene?
The canonical SMILES for 6-ethoxy-2,6-dimethylhept-1-ene is C=C(C)CCCC(C)(C)OCC.
What is the InChIKey of 6-ethoxy-2,6-dimethylhept-1-ene?
The InChIKey is JHABUYLUFVSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-12-11(4,5)9-7-8-10(2)3/h2,6-9H2,1,3-5H3.
What are the key properties of 6-ethoxy-2,6-dimethylhept-1-ene?
6-ethoxy-2,6-dimethylhept-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,6-dimethylhept-1-ene is sourced from PubChem (CID 54229525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).