cyclohexylmethyl cyclopropanecarboxylate

C11H18O2 — CID 534303

IUPACcyclohexylmethyl cyclopropanecarboxylate
SMILESO=C(OCC1CCCCC1)C1CC1
InChIInChI=1S/C11H18O2/c12-11(10-6-7-10)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyMSCTZXMNVHEZCQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds3

About cyclohexylmethyl cyclopropanecarboxylate

cyclohexylmethyl cyclopropanecarboxylate (PubChem CID 534303) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclohexylmethyl cyclopropanecarboxylate.

Molecular Properties

Compound Namecyclohexylmethyl cyclopropanecarboxylate
PubChem CID534303
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclohexylmethyl cyclopropanecarboxylate
SMILESO=C(OCC1CCCCC1)C1CC1
InChIInChI=1S/C11H18O2/c12-11(10-6-7-10)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyMSCTZXMNVHEZCQ-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
[4-(prop-2-ynoxymethyl)cyclohexyl]methyl cyclopropanecarboxylate
CID 54181811
cyclohexylmethyl 2-oxoacetate
CID 174782114
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
cycloheptylmethyl 4-aminooxolane-3-carboxylate
CID 114248590

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl cyclopropanecarboxylate?
The IUPAC name of cyclohexylmethyl cyclopropanecarboxylate (CID 534303) is cyclohexylmethyl cyclopropanecarboxylate.
What is the SMILES notation for cyclohexylmethyl cyclopropanecarboxylate?
The canonical SMILES for cyclohexylmethyl cyclopropanecarboxylate is O=C(OCC1CCCCC1)C1CC1.
What is the InChIKey of cyclohexylmethyl cyclopropanecarboxylate?
The InChIKey is MSCTZXMNVHEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-11(10-6-7-10)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of cyclohexylmethyl cyclopropanecarboxylate?
cyclohexylmethyl cyclopropanecarboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl cyclopropanecarboxylate is sourced from PubChem (CID 534303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).