[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate

C20H32O4 — CID 118132173

IUPAC[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
SMILESO=C(OC1CCC(OC(=O)C2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C20H32O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h15-18H,1-14H2
InChIKeyHOBYCSACGJBCEC-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.54
Rot. Bonds4

About [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate

[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate (PubChem CID 118132173) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
PubChem CID118132173
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
SMILESO=C(OC1CCC(OC(=O)C2CCCCC2)CC1)C1CCCCC1
InChIInChI=1S/C20H32O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h15-18H,1-14H2
InChIKeyHOBYCSACGJBCEC-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl cyclooctanecarboxylate
CID 57160377
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
cyclooctanecarboperoxoic acid
CID 90238548
cyclopropyl oxane-4-carboxylate
CID 23131614
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate?
The IUPAC name of [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate (CID 118132173) is [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate.
What is the SMILES notation for [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate?
The canonical SMILES for [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate is O=C(OC1CCC(OC(=O)C2CCCCC2)CC1)C1CCCCC1.
What is the InChIKey of [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate?
The InChIKey is HOBYCSACGJBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h15-18H,1-14H2.
What are the key properties of [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate?
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate has a molecular weight of 336.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate is sourced from PubChem (CID 118132173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).