[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate

C18H30O6 — CID 59903872

IUPAC[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
SMILESCOC(=O)OC1CCC(C)(OC2(C)CCC(OC(C)=O)CC2)CC1
InChIInChI=1S/C18H30O6/c1-13(19)22-14-5-9-17(2,10-6-14)24-18(3)11-7-15(8-12-18)23-16(20)21-4/h14-15H,5-12H2,1-4H3
InChIKeyJNTAUDRATRLJBJ-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.75
Rot. Bonds4

About [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate

[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate (PubChem CID 59903872) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate.

Molecular Properties

Compound Name[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
PubChem CID59903872
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
SMILESCOC(=O)OC1CCC(C)(OC2(C)CCC(OC(C)=O)CC2)CC1
InChIInChI=1S/C18H30O6/c1-13(19)22-14-5-9-17(2,10-6-14)24-18(3)11-7-15(8-12-18)23-16(20)21-4/h14-15H,5-12H2,1-4H3
InChIKeyJNTAUDRATRLJBJ-UHFFFAOYSA-N
XLogP3.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,4-diaminocyclohexyl) acetate
CID 174708289
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
(6-acetyloxycyclodecyl) acetate
CID 539578
(4-ethyl-4-propan-2-ylcyclohexyl) acetate
CID 146244844
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
(4-acetamidocyclohexyl) acetate
CID 15442390
cycloheptadecyl acetate
CID 57215828
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
CID 171402327
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
(1-methyl-4-propan-2-ylcyclohexyl) ethaneperoxoate
CID 158287859

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate?
The IUPAC name of [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate (CID 59903872) is [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate.
What is the SMILES notation for [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate?
The canonical SMILES for [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate is COC(=O)OC1CCC(C)(OC2(C)CCC(OC(C)=O)CC2)CC1.
What is the InChIKey of [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate?
The InChIKey is JNTAUDRATRLJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-13(19)22-14-5-9-17(2,10-6-14)24-18(3)11-7-15(8-12-18)23-16(20)21-4/h14-15H,5-12H2,1-4H3.
What are the key properties of [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate?
[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate has a molecular weight of 342.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate is sourced from PubChem (CID 59903872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).