(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol

C11H20O2 — CID 89044583

IUPAC(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol
SMILESC=C(OC)/C(C)=C/CC(CC)CO
InChIInChI=1S/C11H20O2/c1-5-11(8-12)7-6-9(2)10(3)13-4/h6,11-12H,3,5,7-8H2,1-2,4H3/b9-6+
InChIKeyQOMFIWOXIUSRLW-RMKNXTFCSA-N
MW184.28 g/mol
LogP2.50
Rot. Bonds6

About (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol

(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol (PubChem CID 89044583) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol
PubChem CID89044583
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol
SMILESC=C(OC)/C(C)=C/CC(CC)CO
InChIInChI=1S/C11H20O2/c1-5-11(8-12)7-6-9(2)10(3)13-4/h6,11-12H,3,5,7-8H2,1-2,4H3/b9-6+
InChIKeyQOMFIWOXIUSRLW-RMKNXTFCSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol?
The IUPAC name of (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol (CID 89044583) is (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol?
The canonical SMILES for (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol is C=C(OC)/C(C)=C/CC(CC)CO.
What is the InChIKey of (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol?
The InChIKey is QOMFIWOXIUSRLW-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(8-12)7-6-9(2)10(3)13-4/h6,11-12H,3,5,7-8H2,1-2,4H3/b9-6+.
What are the key properties of (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol?
(4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethyl-6-methoxy-5-methylhepta-4,6-dien-1-ol is sourced from PubChem (CID 89044583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).