7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione

C14H18O3 — CID 101410534

IUPAC7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione
SMILESCCCc1cc(=O)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H18O3/c1-4-5-9-6-12(16)17-11-8-14(2,3)7-10(15)13(9)11/h6H,4-5,7-8H2,1-3H3
InChIKeyVVTPDDXYOUFKES-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds2

About 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione

7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione (PubChem CID 101410534) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione
PubChem CID101410534
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione
SMILESCCCc1cc(=O)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C14H18O3/c1-4-5-9-6-12(16)17-11-8-14(2,3)7-10(15)13(9)11/h6H,4-5,7-8H2,1-3H3
InChIKeyVVTPDDXYOUFKES-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Violapyrone D
CID 72947853
7-Hydroxy-8-(3-methylbutanoyl)-6,6-bis(3-methylbut-2-enyl)-4-(2-methylpropyl)chromene-2,5-dione
CID 166636302
(4aR,5S)-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
CID 10059741
(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
CID 16104919
4,7,7-trimethyl-7,8-dihydro-2H-chromene-2,5(6H)-dione
CID 2728740
(4aR,8aS)-3,8a-dimethyl-4a,5-dihydro-4H-benzo[f][1]benzofuran-2,8-dione
CID 162801011
(2R)-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromene-5,6-dione
CID 163004757
7,8-Dihydro-4-methyl-2h-1-benzopyran-2,5(6h)-dione
CID 12333358
7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydrocoumarin
CID 13516378
4-Hydroxy-3-methyl-6-(5-methyl-6-oxoheptyl)pyran-2-one
CID 163061654
2,2,6,6,8,8-Hexamethylchromene-5,7-dione
CID 85714133
3-Propyl-5,6,7,8-tetrahydroisochromen-1-one
CID 139694619

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione?
The IUPAC name of 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione (CID 101410534) is 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione?
The canonical SMILES for 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione is CCCc1cc(=O)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione?
The InChIKey is VVTPDDXYOUFKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-5-9-6-12(16)17-11-8-14(2,3)7-10(15)13(9)11/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione?
7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione has a molecular weight of 234.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione is sourced from PubChem (CID 101410534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).