2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one

C12H18O2 — CID 155931225

IUPAC2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one
SMILESCC1CC(=O)C2=C(C1)OC(C)(C)CC2
InChIInChI=1S/C12H18O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h8H,4-7H2,1-3H3
InChIKeyAWIMNPKBJKFJFV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds

About 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one

2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one (PubChem CID 155931225) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one.

Molecular Properties

Compound Name2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one
PubChem CID155931225
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one
SMILESCC1CC(=O)C2=C(C1)OC(C)(C)CC2
InChIInChI=1S/C12H18O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h8H,4-7H2,1-3H3
InChIKeyAWIMNPKBJKFJFV-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The IUPAC name of 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one (CID 155931225) is 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one.
What is the SMILES notation for 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The canonical SMILES for 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one is CC1CC(=O)C2=C(C1)OC(C)(C)CC2.
What is the InChIKey of 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
The InChIKey is AWIMNPKBJKFJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-6-10(13)9-4-5-12(2,3)14-11(9)7-8/h8H,4-7H2,1-3H3.
What are the key properties of 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one?
2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one is sourced from PubChem (CID 155931225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).