(1-ethylcyclohexyl) cyclopropanecarboxylate

C12H20O2 — CID 147138971

IUPAC(1-ethylcyclohexyl) cyclopropanecarboxylate
SMILESCCC1(OC(=O)C2CC2)CCCCC1
InChIInChI=1S/C12H20O2/c1-2-12(8-4-3-5-9-12)14-11(13)10-6-7-10/h10H,2-9H2,1H3
InChIKeyBRSNIVQJVYIKCD-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds3

About (1-ethylcyclohexyl) cyclopropanecarboxylate

(1-ethylcyclohexyl) cyclopropanecarboxylate (PubChem CID 147138971) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1-ethylcyclohexyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) cyclopropanecarboxylate
PubChem CID147138971
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1-ethylcyclohexyl) cyclopropanecarboxylate
SMILESCCC1(OC(=O)C2CC2)CCCCC1
InChIInChI=1S/C12H20O2/c1-2-12(8-4-3-5-9-12)14-11(13)10-6-7-10/h10H,2-9H2,1H3
InChIKeyBRSNIVQJVYIKCD-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate
CID 123619260
(1-propylcyclohexyl) 4-pentylcyclohexane-1-carboxylate
CID 56984803
4-(1-hexylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262482
(1-ethylcyclopentyl) 3-ethyl-1-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5-carboxylate
CID 70999220
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
CID 91327954
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate
CID 59130084
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
4-(1-ethylcyclohexyl)oxy-4-oxobut-2-enoic acid
CID 54551047

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) cyclopropanecarboxylate?
The IUPAC name of (1-ethylcyclohexyl) cyclopropanecarboxylate (CID 147138971) is (1-ethylcyclohexyl) cyclopropanecarboxylate.
What is the SMILES notation for (1-ethylcyclohexyl) cyclopropanecarboxylate?
The canonical SMILES for (1-ethylcyclohexyl) cyclopropanecarboxylate is CCC1(OC(=O)C2CC2)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) cyclopropanecarboxylate?
The InChIKey is BRSNIVQJVYIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-12(8-4-3-5-9-12)14-11(13)10-6-7-10/h10H,2-9H2,1H3.
What are the key properties of (1-ethylcyclohexyl) cyclopropanecarboxylate?
(1-ethylcyclohexyl) cyclopropanecarboxylate has a molecular weight of 196.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) cyclopropanecarboxylate is sourced from PubChem (CID 147138971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).