cyclooctyl cyclooctanecarboxylate

C17H30O2 — CID 57160377

IUPACcyclooctyl cyclooctanecarboxylate
SMILESO=C(OC1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C17H30O2/c18-17(15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2
InChIKeySIBFTJVYHNJQCL-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.00
Rot. Bonds2

About cyclooctyl cyclooctanecarboxylate

cyclooctyl cyclooctanecarboxylate (PubChem CID 57160377) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is cyclooctyl cyclooctanecarboxylate.

Molecular Properties

Compound Namecyclooctyl cyclooctanecarboxylate
PubChem CID57160377
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Namecyclooctyl cyclooctanecarboxylate
SMILESO=C(OC1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C17H30O2/c18-17(15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2
InChIKeySIBFTJVYHNJQCL-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclohexyl (3S)-piperidine-3-carboxylate
CID 81126068
cyclooctanecarboperoxoic acid
CID 90238548
cycloheptyl azetidine-2-carboxylate
CID 131025825
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
cycloheptyl pyrrolidine-3-carboxylate
CID 63033044

Frequently Asked Questions

What is the IUPAC name of cyclooctyl cyclooctanecarboxylate?
The IUPAC name of cyclooctyl cyclooctanecarboxylate (CID 57160377) is cyclooctyl cyclooctanecarboxylate.
What is the SMILES notation for cyclooctyl cyclooctanecarboxylate?
The canonical SMILES for cyclooctyl cyclooctanecarboxylate is O=C(OC1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of cyclooctyl cyclooctanecarboxylate?
The InChIKey is SIBFTJVYHNJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c18-17(15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2.
What are the key properties of cyclooctyl cyclooctanecarboxylate?
cyclooctyl cyclooctanecarboxylate has a molecular weight of 266.42 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl cyclooctanecarboxylate is sourced from PubChem (CID 57160377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).