6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

C18H24O2 — CID 163003477

IUPAC6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SMILESCC=CCOCCc1c(C)cc2c(c1C)C(=O)C(C)C2
InChIInChI=1S/C18H24O2/c1-5-6-8-20-9-7-16-12(2)10-15-11-13(3)18(19)17(15)14(16)4/h5-6,10,13H,7-9,11H2,1-4H3
InChIKeyCUKNCTXZVHPAHX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.81
Rot. Bonds5

About 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one (PubChem CID 163003477) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
PubChem CID163003477
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SMILESCC=CCOCCc1c(C)cc2c(c1C)C(=O)C(C)C2
InChIInChI=1S/C18H24O2/c1-5-6-8-20-9-7-16-12(2)10-15-11-13(3)18(19)17(15)14(16)4/h5-6,10,13H,7-9,11H2,1-4H3
InChIKeyCUKNCTXZVHPAHX-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one (CID 163003477) is 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one is CC=CCOCCc1c(C)cc2c(c1C)C(=O)C(C)C2.
What is the InChIKey of 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The InChIKey is CUKNCTXZVHPAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-5-6-8-20-9-7-16-12(2)10-15-11-13(3)18(19)17(15)14(16)4/h5-6,10,13H,7-9,11H2,1-4H3.
What are the key properties of 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-2-enoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 163003477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).