2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one

C19H32O7 — CID 90191283

IUPAC2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCCOCCOCCOCCOCCC(=O)C(=C)C
InChIInChI=1S/C19H32O7/c1-4-18(20)5-7-22-9-11-24-13-15-26-16-14-25-12-10-23-8-6-19(21)17(2)3/h4H,1-2,5-16H2,3H3
InChIKeyMWYBKGJTEPWLEB-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.75
Rot. Bonds20

About 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one

2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one (PubChem CID 90191283) has the molecular formula C19H32O7 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one.

Molecular Properties

Compound Name2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
PubChem CID90191283
Molecular FormulaC19H32O7
Molecular Weight372.46 g/mol
Exact Mass372.21
IUPAC Name2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
SMILESC=CC(=O)CCOCCOCCOCCOCCOCCC(=O)C(=C)C
InChIInChI=1S/C19H32O7/c1-4-18(20)5-7-22-9-11-24-13-15-26-16-14-25-12-10-23-8-6-19(21)17(2)3/h4H,1-2,5-16H2,3H3
InChIKeyMWYBKGJTEPWLEB-UHFFFAOYSA-N
XLogP1.75
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The IUPAC name of 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one (CID 90191283) is 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one.
What is the SMILES notation for 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The canonical SMILES for 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one is C=CC(=O)CCOCCOCCOCCOCCOCCC(=O)C(=C)C.
What is the InChIKey of 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
The InChIKey is MWYBKGJTEPWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O7/c1-4-18(20)5-7-22-9-11-24-13-15-26-16-14-25-12-10-23-8-6-19(21)17(2)3/h4H,1-2,5-16H2,3H3.
What are the key properties of 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one?
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one has a molecular weight of 372.46 g/mol, XLogP of 1.75, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one is sourced from PubChem (CID 90191283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).