2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone

C14H22O3 — CID 102651139

IUPAC2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCO2)CCC(C)(C)CC1
InChIInChI=1S/C14H22O3/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h5H,4,6-10H2,1-3H3
InChIKeyKMRUBMFPUNVGOA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds3

About 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone

2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 102651139) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID102651139
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCO2)CCC(C)(C)CC1
InChIInChI=1S/C14H22O3/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h5H,4,6-10H2,1-3H3
InChIKeyKMRUBMFPUNVGOA-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
CID 134933024
2-Ethyl-5-methyl-4-pentoxy-2-pentylfuran-3-one
CID 21465681
5-Ethyl-2-methyl-4-pentoxy-2-pentylfuran-3-one
CID 21465702
3,4-dihydro-2H-pyran-6-yl-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 144294565
2-Methoxyspiro[5.5]undec-1-en-3-one
CID 15151990
1-Methoxy-5-methylbicyclo[3.2.2]non-3-en-2-one
CID 85528704
(5R,7S)-4,4,7-trimethyl-6-oxaspiro[4.5]dec-2-en-1-one
CID 101770464
3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methanone
CID 102646831
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone
CID 102646905
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone
CID 102646906

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone (CID 102651139) is 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone is COC1(C(=O)C2=CCCO2)CCC(C)(C)CC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is KMRUBMFPUNVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h5H,4,6-10H2,1-3H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 238.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(1-methoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 102651139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).