(3E)-7-methoxy-3,7-dimethylocta-1,3-diene

C11H20O — CID 88725055

IUPAC(3E)-7-methoxy-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C/CCC(C)(C)OC
InChIInChI=1S/C11H20O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyIUINZAURRIFXRI-CSKARUKUSA-N
MW168.28 g/mol
LogP3.32
Rot. Bonds5

About (3E)-7-methoxy-3,7-dimethylocta-1,3-diene

(3E)-7-methoxy-3,7-dimethylocta-1,3-diene (PubChem CID 88725055) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-7-methoxy-3,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Name(3E)-7-methoxy-3,7-dimethylocta-1,3-diene
PubChem CID88725055
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-7-methoxy-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C/CCC(C)(C)OC
InChIInChI=1S/C11H20O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,8H,1,7,9H2,2-5H3/b10-8+
InChIKeyIUINZAURRIFXRI-CSKARUKUSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-7-methoxy-3,7-dimethylocta-1,3-diene?
The IUPAC name of (3E)-7-methoxy-3,7-dimethylocta-1,3-diene (CID 88725055) is (3E)-7-methoxy-3,7-dimethylocta-1,3-diene.
What is the SMILES notation for (3E)-7-methoxy-3,7-dimethylocta-1,3-diene?
The canonical SMILES for (3E)-7-methoxy-3,7-dimethylocta-1,3-diene is C=C/C(C)=C/CCC(C)(C)OC.
What is the InChIKey of (3E)-7-methoxy-3,7-dimethylocta-1,3-diene?
The InChIKey is IUINZAURRIFXRI-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,8H,1,7,9H2,2-5H3/b10-8+.
What are the key properties of (3E)-7-methoxy-3,7-dimethylocta-1,3-diene?
(3E)-7-methoxy-3,7-dimethylocta-1,3-diene has a molecular weight of 168.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-methoxy-3,7-dimethylocta-1,3-diene is sourced from PubChem (CID 88725055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).