(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene

C12H22O — CID 87448288

IUPAC(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCC
InChIInChI=1S/C12H22O/c1-5-11(3)7-8-12(4)9-10-13-6-2/h5,9,11H,1,6-8,10H2,2-4H3/b12-9+
InChIKeyMGJIZORTLJBESW-FMIVXFBMSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds7

About (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene

(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene (PubChem CID 87448288) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene
PubChem CID87448288
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCC
InChIInChI=1S/C12H22O/c1-5-11(3)7-8-12(4)9-10-13-6-2/h5,9,11H,1,6-8,10H2,2-4H3/b12-9+
InChIKeyMGJIZORTLJBESW-FMIVXFBMSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Ethyl linalyl ether
CID 175211
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,7-Octadien-1-ol, 2,6-dimethyl-, 1-acetate
CID 121782
Npc133097
CID 5365842
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(E)-1-ethoxy-hept-2-ene
CID 5358349
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
(E)-1-methoxyoct-2-ene
CID 11332527
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089

Frequently Asked Questions

What is the IUPAC name of (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene?
The IUPAC name of (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene (CID 87448288) is (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene is C=CC(C)CC/C(C)=C/COCC.
What is the InChIKey of (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene?
The InChIKey is MGJIZORTLJBESW-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H22O/c1-5-11(3)7-8-12(4)9-10-13-6-2/h5,9,11H,1,6-8,10H2,2-4H3/b12-9+.
What are the key properties of (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene?
(6E)-8-ethoxy-3,6-dimethylocta-1,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-ethoxy-3,6-dimethylocta-1,6-diene is sourced from PubChem (CID 87448288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).