(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene

C10H18O — CID 89283557

IUPAC(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene
SMILESC/C=C(/OC)C(CC)=C(C)C
InChIInChI=1S/C10H18O/c1-6-9(8(3)4)10(7-2)11-5/h7H,6H2,1-5H3/b10-7+
InChIKeyXEKVWRZFQXWMDN-JXMROGBWSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds3

About (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene

(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene (PubChem CID 89283557) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene.

Molecular Properties

Compound Name(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene
PubChem CID89283557
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene
SMILESC/C=C(/OC)C(CC)=C(C)C
InChIInChI=1S/C10H18O/c1-6-9(8(3)4)10(7-2)11-5/h7H,6H2,1-5H3/b10-7+
InChIKeyXEKVWRZFQXWMDN-JXMROGBWSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene?
The IUPAC name of (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene (CID 89283557) is (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene.
What is the SMILES notation for (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene?
The canonical SMILES for (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene is C/C=C(/OC)C(CC)=C(C)C.
What is the InChIKey of (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene?
The InChIKey is XEKVWRZFQXWMDN-JXMROGBWSA-N. The full InChI is InChI=1S/C10H18O/c1-6-9(8(3)4)10(7-2)11-5/h7H,6H2,1-5H3/b10-7+.
What are the key properties of (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene?
(4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-ethyl-4-methoxy-2-methylhexa-2,4-diene is sourced from PubChem (CID 89283557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).