5-ethoxy-2,7-dimethylocta-2,3-diene

C12H22O — CID 13406636

IUPAC5-ethoxy-2,7-dimethylocta-2,3-diene
SMILESCCOC(C=C=C(C)C)CC(C)C
InChIInChI=1S/C12H22O/c1-6-13-12(9-11(4)5)8-7-10(2)3/h8,11-12H,6,9H2,1-5H3
InChIKeyBPPSASVEDBYHPA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.56
Rot. Bonds5

About 5-ethoxy-2,7-dimethylocta-2,3-diene

5-ethoxy-2,7-dimethylocta-2,3-diene (PubChem CID 13406636) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-ethoxy-2,7-dimethylocta-2,3-diene.

Molecular Properties

Compound Name5-ethoxy-2,7-dimethylocta-2,3-diene
PubChem CID13406636
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-ethoxy-2,7-dimethylocta-2,3-diene
SMILESCCOC(C=C=C(C)C)CC(C)C
InChIInChI=1S/C12H22O/c1-6-13-12(9-11(4)5)8-7-10(2)3/h8,11-12H,6,9H2,1-5H3
InChIKeyBPPSASVEDBYHPA-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethyl-3-prop-2-enoxyhex-1-ene
CID 10920921
4-Ethoxy-3,6-dimethyl-1,2-heptadiene
CID 12571776
(5-Ethoxy-7-methylocta-2,3-dien-4-yl)-trimethylsilane
CID 12829125
4-Ethoxy-6-methylhepta-1,2-diene
CID 13406601
3-Tert-butyl-4-ethoxy-6-methylhepta-1,2-diene
CID 13406612
Vinylisobutylather
CID 129634701
6-Methyl-4-prop-2-enoxyhept-1-ene
CID 135084294
3-Butoxy-2,4-dimethyl-1-pentene
CID 551209
3-Ethenoxy-5-methylhex-1-ene
CID 12163166
5-Methyl-3-(5-methylhex-1-en-3-yloxy)hex-1-ene
CID 21122391
3-Methoxy-2,4-dimethylpent-1-ene
CID 23384961
3-Methoxy-2-methyl-4-methylidenehexane
CID 23384963

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,7-dimethylocta-2,3-diene?
The IUPAC name of 5-ethoxy-2,7-dimethylocta-2,3-diene (CID 13406636) is 5-ethoxy-2,7-dimethylocta-2,3-diene.
What is the SMILES notation for 5-ethoxy-2,7-dimethylocta-2,3-diene?
The canonical SMILES for 5-ethoxy-2,7-dimethylocta-2,3-diene is CCOC(C=C=C(C)C)CC(C)C.
What is the InChIKey of 5-ethoxy-2,7-dimethylocta-2,3-diene?
The InChIKey is BPPSASVEDBYHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-13-12(9-11(4)5)8-7-10(2)3/h8,11-12H,6,9H2,1-5H3.
What are the key properties of 5-ethoxy-2,7-dimethylocta-2,3-diene?
5-ethoxy-2,7-dimethylocta-2,3-diene has a molecular weight of 182.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,7-dimethylocta-2,3-diene is sourced from PubChem (CID 13406636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).