[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate

C18H28O6 — CID 142724767

IUPAC[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
SMILESCC(=O)CCCC(=O)OC1CCC(OC(=O)CCCC(C)=O)CC1
InChIInChI=1S/C18H28O6/c1-13(19)5-3-7-17(21)23-15-9-11-16(12-10-15)24-18(22)8-4-6-14(2)20/h15-16H,3-12H2,1-2H3
InChIKeyBAKWBABXTFUYTJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.90
Rot. Bonds10

About [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate

[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate (PubChem CID 142724767) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate.

Molecular Properties

Compound Name[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
PubChem CID142724767
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
SMILESCC(=O)CCCC(=O)OC1CCC(OC(=O)CCCC(C)=O)CC1
InChIInChI=1S/C18H28O6/c1-13(19)5-3-7-17(21)23-15-9-11-16(12-10-15)24-18(22)8-4-6-14(2)20/h15-16H,3-12H2,1-2H3
InChIKeyBAKWBABXTFUYTJ-UHFFFAOYSA-N
XLogP2.90
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl decanoate
CID 154321154
dicyclohexyl pentanedioate
CID 15593941
cyclobutyl 4-bromobutanoate
CID 591081
[(1S,3aS,4R,6aS)-4-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl] 5-oxohexanoate
CID 122693457
cyclobutyl pentadecanoate
CID 46229794
(4-hexadecanoyloxycyclohexyl) (Z)-octadec-9-enoate
CID 101255387
cycloheptyl 6-ethoxyhexanoate
CID 134561724
[4-[(Z)-octadec-9-enoyl]oxycyclohexyl] (Z)-octadec-9-enoate
CID 101255389
9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
CID 91478968
cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
5-O-(3,4-dimethylcyclohexyl) 1-O-ethyl pentanedioate
CID 91718107
cyclopropyl 3-cyclopropylpropanoate
CID 175261469

Frequently Asked Questions

What is the IUPAC name of [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate?
The IUPAC name of [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate (CID 142724767) is [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate.
What is the SMILES notation for [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate?
The canonical SMILES for [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate is CC(=O)CCCC(=O)OC1CCC(OC(=O)CCCC(C)=O)CC1.
What is the InChIKey of [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate?
The InChIKey is BAKWBABXTFUYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-13(19)5-3-7-17(21)23-15-9-11-16(12-10-15)24-18(22)8-4-6-14(2)20/h15-16H,3-12H2,1-2H3.
What are the key properties of [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate?
[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate has a molecular weight of 340.42 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate is sourced from PubChem (CID 142724767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).