1-cyclohexylethyl ethyl carbonate

C11H20O3 — CID 3023090

IUPAC1-cyclohexylethyl ethyl carbonate
SMILESCCOC(=O)OC(C)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyRMEKEYDDFDWNSG-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds3

About 1-cyclohexylethyl ethyl carbonate

1-cyclohexylethyl ethyl carbonate (PubChem CID 3023090) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclohexylethyl ethyl carbonate.

Molecular Properties

Compound Name1-cyclohexylethyl ethyl carbonate
PubChem CID3023090
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-cyclohexylethyl ethyl carbonate
SMILESCCOC(=O)OC(C)C1CCCCC1
InChIInChI=1S/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyRMEKEYDDFDWNSG-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl ethyl carbonate?
The IUPAC name of 1-cyclohexylethyl ethyl carbonate (CID 3023090) is 1-cyclohexylethyl ethyl carbonate.
What is the SMILES notation for 1-cyclohexylethyl ethyl carbonate?
The canonical SMILES for 1-cyclohexylethyl ethyl carbonate is CCOC(=O)OC(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl ethyl carbonate?
The InChIKey is RMEKEYDDFDWNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexylethyl ethyl carbonate?
1-cyclohexylethyl ethyl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl ethyl carbonate is sourced from PubChem (CID 3023090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).