3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone

C13H18O2 — CID 11321703

IUPAC3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJERTZKIECZGJBQ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone (PubChem CID 11321703) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
PubChem CID11321703
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJERTZKIECZGJBQ-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4bR,5aR,10aR)-3-ethoxy-5a,6,10,10a-tetramethyl-5,8,9,11-tetrahydro-4bH-benzo[h]fluorene-1,4-dione
CID 172453479
[2-oxo-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethyl] acetate
CID 58241304
2-Cyclohexyl-5-methylfuran-3-one
CID 4447644
2-Methoxy-3,5,5-trimethyl-2-cyclohexenone
CID 11768958
Methanone, 1-cyclopenten-1-yl(3,4-dihydro-2H-pyran-6-yl)-
CID 11367327
5-Butyl-3-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
CID 13351155
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
CID 45098701
5,5-Dimethyl-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one
CID 71377791
1-(4,4-Dimethylcyclopent-1-en-1-yl)-2-ethoxyprop-2-en-1-one
CID 71377796
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenehexan-1-one
CID 85991139
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone (CID 11321703) is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone is CC1(C)CC=C(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The InChIKey is JERTZKIECZGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone has a molecular weight of 206.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone is sourced from PubChem (CID 11321703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).