2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde

C17H24O2 — CID 142923439

IUPAC2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde
SMILESC=C(C)C(CC)(CC)c1ccc(OCC=O)c(C)c1
InChIInChI=1S/C17H24O2/c1-6-17(7-2,13(3)4)15-8-9-16(14(5)12-15)19-11-10-18/h8-10,12H,3,6-7,11H2,1-2,4-5H3
InChIKeyVYURKHLYEGATMV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.21
Rot. Bonds7

About 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde

2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde (PubChem CID 142923439) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde
PubChem CID142923439
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde
SMILESC=C(C)C(CC)(CC)c1ccc(OCC=O)c(C)c1
InChIInChI=1S/C17H24O2/c1-6-17(7-2,13(3)4)15-8-9-16(14(5)12-15)19-11-10-18/h8-10,12H,3,6-7,11H2,1-2,4-5H3
InChIKeyVYURKHLYEGATMV-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde?
The IUPAC name of 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde (CID 142923439) is 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde.
What is the SMILES notation for 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde?
The canonical SMILES for 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde is C=C(C)C(CC)(CC)c1ccc(OCC=O)c(C)c1.
What is the InChIKey of 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde?
The InChIKey is VYURKHLYEGATMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-6-17(7-2,13(3)4)15-8-9-16(14(5)12-15)19-11-10-18/h8-10,12H,3,6-7,11H2,1-2,4-5H3.
What are the key properties of 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde?
2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde has a molecular weight of 260.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-2-methylpent-1-en-3-yl)-2-methylphenoxy]acetaldehyde is sourced from PubChem (CID 142923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).