2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one

C19H24O2 — CID 143699788

IUPAC2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one
SMILESCCC1=C(C(=O)C(C)C2C=C(C)OCC2C)C=CC=C=C1
InChIInChI=1S/C19H24O2/c1-5-16-9-7-6-8-10-17(16)19(20)15(4)18-11-14(3)21-12-13(18)2/h6,8-11,13,15,18H,5,12H2,1-4H3
InChIKeyJMWIQAAUYWGRMN-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.37
Rot. Bonds4

About 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one

2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one (PubChem CID 143699788) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one
PubChem CID143699788
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one
SMILESCCC1=C(C(=O)C(C)C2C=C(C)OCC2C)C=CC=C=C1
InChIInChI=1S/C19H24O2/c1-5-16-9-7-6-8-10-17(16)19(20)15(4)18-11-14(3)21-12-13(18)2/h6,8-11,13,15,18H,5,12H2,1-4H3
InChIKeyJMWIQAAUYWGRMN-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one?
The IUPAC name of 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one (CID 143699788) is 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one?
The canonical SMILES for 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one is CCC1=C(C(=O)C(C)C2C=C(C)OCC2C)C=CC=C=C1.
What is the InChIKey of 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one?
The InChIKey is JMWIQAAUYWGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-16-9-7-6-8-10-17(16)19(20)15(4)18-11-14(3)21-12-13(18)2/h6,8-11,13,15,18H,5,12H2,1-4H3.
What are the key properties of 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one?
2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-3,4-dihydro-2H-pyran-4-yl)-1-(2-ethylcyclohepta-1,3,4,6-tetraen-1-yl)propan-1-one is sourced from PubChem (CID 143699788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).