3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one

C13H18O2 — CID 91601772

IUPAC3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one
SMILESCC(C)COC1CC(=O)C2=C1CC=CC2
InChIInChI=1S/C13H18O2/c1-9(2)8-15-13-7-12(14)10-5-3-4-6-11(10)13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyLVCMZAWMHONPQF-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.65
Rot. Bonds3

About 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one

3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one (PubChem CID 91601772) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one.

Molecular Properties

Compound Name3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one
PubChem CID91601772
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one
SMILESCC(C)COC1CC(=O)C2=C1CC=CC2
InChIInChI=1S/C13H18O2/c1-9(2)8-15-13-7-12(14)10-5-3-4-6-11(10)13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyLVCMZAWMHONPQF-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl 3-methylbut-2-enoate
CID 225871
2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102760
1-Acetyl-3-ethoxy-1-cyclohexene
CID 15143066
(2R)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 16220370
(2R,3S)-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 44516376
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 102385261
2-[(Z)-oct-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 135016262
(2S,3R)-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 135041369
Hwfkvlhyaxivam-uhfffaoysa-
CID 10966046
(1S)-2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102761
4-Ethoxy-2-ethylcyclopent-2-en-1-one
CID 13117141
3-methyl-4-[(Z)-pent-2-enoxy]-2-prop-2-enylcyclopent-2-en-1-one
CID 13117143

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one?
The IUPAC name of 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one (CID 91601772) is 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one.
What is the SMILES notation for 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one?
The canonical SMILES for 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one is CC(C)COC1CC(=O)C2=C1CC=CC2.
What is the InChIKey of 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one?
The InChIKey is LVCMZAWMHONPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)8-15-13-7-12(14)10-5-3-4-6-11(10)13/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one?
3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-2,3,4,7-tetrahydroinden-1-one is sourced from PubChem (CID 91601772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).