3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one

C14H20Cl2O3 — CID 4049586

IUPAC3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
SMILESCC1CCC(C(C)C)C(OC2OC(=O)C(Cl)=C2Cl)C1
InChIInChI=1S/C14H20Cl2O3/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-10,14H,4-6H2,1-3H3
InChIKeyQEGQDPHTAUZLGW-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.04
Rot. Bonds3

About 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one

3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one (PubChem CID 4049586) has the molecular formula C14H20Cl2O3 and a molecular weight of 307.22 g/mol. Its IUPAC name is 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
PubChem CID4049586
Molecular FormulaC14H20Cl2O3
Molecular Weight307.22 g/mol
Exact Mass306.08
IUPAC Name3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
SMILESCC1CCC(C(C)C)C(OC2OC(=O)C(Cl)=C2Cl)C1
InChIInChI=1S/C14H20Cl2O3/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-10,14H,4-6H2,1-3H3
InChIKeyQEGQDPHTAUZLGW-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(2S)-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 57325346
(2R)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12889153
(2R)-2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12037499
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 3732429
(1S,4S,5R)-5-chloro-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxabicyclo[3.2.0]heptan-2-one
CID 11087920
bicyclo[2.2.1]hepta-2,5-diene;(2S)-3,4-bis(diphenylphosphanyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one;rhodium;hexafluorophosphate
CID 10887542
(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 15444780
(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 11098557
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
(3aR,6S,6aS)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 10904303

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The IUPAC name of 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one (CID 4049586) is 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one.
What is the SMILES notation for 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The canonical SMILES for 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one is CC1CCC(C(C)C)C(OC2OC(=O)C(Cl)=C2Cl)C1.
What is the InChIKey of 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
The InChIKey is QEGQDPHTAUZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O3/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one?
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one has a molecular weight of 307.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one is sourced from PubChem (CID 4049586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).