4-ethoxy-3,6-dimethylhepta-1,2-diene

C11H20O — CID 12571776

IUPAC4-ethoxy-3,6-dimethylhepta-1,2-diene
SMILESC=C=C(C)C(CC(C)C)OCC
InChIInChI=1S/C11H20O/c1-6-10(5)11(12-7-2)8-9(3)4/h9,11H,1,7-8H2,2-5H3
InChIKeyKPKLUCCAEBZXGB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.17
Rot. Bonds5

About 4-ethoxy-3,6-dimethylhepta-1,2-diene

4-ethoxy-3,6-dimethylhepta-1,2-diene (PubChem CID 12571776) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-ethoxy-3,6-dimethylhepta-1,2-diene.

Molecular Properties

Compound Name4-ethoxy-3,6-dimethylhepta-1,2-diene
PubChem CID12571776
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-ethoxy-3,6-dimethylhepta-1,2-diene
SMILESC=C=C(C)C(CC(C)C)OCC
InChIInChI=1S/C11H20O/c1-6-10(5)11(12-7-2)8-9(3)4/h9,11H,1,7-8H2,2-5H3
InChIKeyKPKLUCCAEBZXGB-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R)-4-methylhexa-4,5-dien-3-ol
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(4R)-3-ethyl-6-methylhepta-1,2-dien-4-ol
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strontium;1-ethoxyethanol;hydride
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1-ethoxyethanol;N-methylmethanamine
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ethanamine;1-ethoxyethanol
CID 20501270
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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,6-dimethylhepta-1,2-diene?
The IUPAC name of 4-ethoxy-3,6-dimethylhepta-1,2-diene (CID 12571776) is 4-ethoxy-3,6-dimethylhepta-1,2-diene.
What is the SMILES notation for 4-ethoxy-3,6-dimethylhepta-1,2-diene?
The canonical SMILES for 4-ethoxy-3,6-dimethylhepta-1,2-diene is C=C=C(C)C(CC(C)C)OCC.
What is the InChIKey of 4-ethoxy-3,6-dimethylhepta-1,2-diene?
The InChIKey is KPKLUCCAEBZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10(5)11(12-7-2)8-9(3)4/h9,11H,1,7-8H2,2-5H3.
What are the key properties of 4-ethoxy-3,6-dimethylhepta-1,2-diene?
4-ethoxy-3,6-dimethylhepta-1,2-diene has a molecular weight of 168.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,6-dimethylhepta-1,2-diene is sourced from PubChem (CID 12571776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).