ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate

C14H24O5 — CID 19700044

IUPACethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(OC(C)=O)CCC(OC(C)C)CC1
InChIInChI=1S/C14H24O5/c1-5-17-13(16)14(19-11(4)15)8-6-12(7-9-14)18-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyYIBBALHHBXGETC-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.22
Rot. Bonds5

About ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate

ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate (PubChem CID 19700044) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate
PubChem CID19700044
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(OC(C)=O)CCC(OC(C)C)CC1
InChIInChI=1S/C14H24O5/c1-5-17-13(16)14(19-11(4)15)8-6-12(7-9-14)18-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyYIBBALHHBXGETC-UHFFFAOYSA-N
XLogP2.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
ethyl 1-hydroxy-4-(1,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 68763914
ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
ethyl 2-(4,4-dimethylcyclohexyl)oxy-2-fluoroacetate
CID 114340350
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate
CID 139563478
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethyl 1,4-di(pyrimidin-2-yloxy)cyclohexane-1-carboxylate
CID 174993351
ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate
CID 163479316

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate (CID 19700044) is ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate is CCOC(=O)C1(OC(C)=O)CCC(OC(C)C)CC1.
What is the InChIKey of ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate?
The InChIKey is YIBBALHHBXGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-5-17-13(16)14(19-11(4)15)8-6-12(7-9-14)18-10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate?
ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate is sourced from PubChem (CID 19700044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).