(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium

C10H20NO+ — CID 135014465

IUPAC(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium
SMILESC=C(OCC)C(=C)C(C)C(C)[NH3+]
InChIInChI=1S/C10H19NO/c1-6-12-10(5)8(3)7(2)9(4)11/h7,9H,3,5-6,11H2,1-2,4H3/p+1
InChIKeyYRPJZXTVQXNWHD-UHFFFAOYSA-O
MW170.28 g/mol
LogP1.36
Rot. Bonds5

About (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium

(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium (PubChem CID 135014465) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium.

Molecular Properties

Compound Name(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium
PubChem CID135014465
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium
SMILESC=C(OCC)C(=C)C(C)C(C)[NH3+]
InChIInChI=1S/C10H19NO/c1-6-12-10(5)8(3)7(2)9(4)11/h7,9H,3,5-6,11H2,1-2,4H3/p+1
InChIKeyYRPJZXTVQXNWHD-UHFFFAOYSA-O
XLogP1.36
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
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 (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium?
The IUPAC name of (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium (CID 135014465) is (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium.
What is the SMILES notation for (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium?
The canonical SMILES for (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium is C=C(OCC)C(=C)C(C)C(C)[NH3+].
What is the InChIKey of (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium?
The InChIKey is YRPJZXTVQXNWHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO/c1-6-12-10(5)8(3)7(2)9(4)11/h7,9H,3,5-6,11H2,1-2,4H3/p+1.
What are the key properties of (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium?
(5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium has a molecular weight of 170.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-methyl-4-methylidenehex-5-en-2-yl)azanium is sourced from PubChem (CID 135014465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).