(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate

C14H22O3 — CID 102183559

IUPAC(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
SMILESCC(=O)OC1=CC(C)(C)OC1C1CCCCC1
InChIInChI=1S/C14H22O3/c1-10(15)16-12-9-14(2,3)17-13(12)11-7-5-4-6-8-11/h9,11,13H,4-8H2,1-3H3
InChIKeyZPDJQKIEYNJTMY-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.19
Rot. Bonds2

About (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate

(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate (PubChem CID 102183559) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate.

Molecular Properties

Compound Name(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
PubChem CID102183559
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
SMILESCC(=O)OC1=CC(C)(C)OC1C1CCCCC1
InChIInChI=1S/C14H22O3/c1-10(15)16-12-9-14(2,3)17-13(12)11-7-5-4-6-8-11/h9,11,13H,4-8H2,1-3H3
InChIKeyZPDJQKIEYNJTMY-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
L-carvenyl acetate
CID 91748679
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
[2-[1-(5,5-Dimethylcyclohexen-1-yl)ethoxy]-2-methylpropyl] propanoate
CID 11231382
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 13146631
4-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13300108
[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 14891633
[(2R)-5,5-dimethyl-2-pentyl-2H-furan-4-yl] acetate
CID 14891636
[(E)-1-cyclohexylbut-2-enyl] acetate
CID 14993075
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
2-Cyclohexyl-3-methoxy-2,5-dihydrofuran
CID 102055860

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate?
The IUPAC name of (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate (CID 102183559) is (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate.
What is the SMILES notation for (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate?
The canonical SMILES for (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate is CC(=O)OC1=CC(C)(C)OC1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate?
The InChIKey is ZPDJQKIEYNJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(15)16-12-9-14(2,3)17-13(12)11-7-5-4-6-8-11/h9,11,13H,4-8H2,1-3H3.
What are the key properties of (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate?
(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate has a molecular weight of 238.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate is sourced from PubChem (CID 102183559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).