(2-cyclohexyl-2-oxoethyl) propyl carbonate

C12H20O4 — CID 141034667

IUPAC(2-cyclohexyl-2-oxoethyl) propyl carbonate
SMILESCCCOC(=O)OCC(=O)C1CCCCC1
InChIInChI=1S/C12H20O4/c1-2-8-15-12(14)16-9-11(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyWGWQNGYCXMQNKA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.70
Rot. Bonds5

About (2-cyclohexyl-2-oxoethyl) propyl carbonate

(2-cyclohexyl-2-oxoethyl) propyl carbonate (PubChem CID 141034667) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2-cyclohexyl-2-oxoethyl) propyl carbonate.

Molecular Properties

Compound Name(2-cyclohexyl-2-oxoethyl) propyl carbonate
PubChem CID141034667
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(2-cyclohexyl-2-oxoethyl) propyl carbonate
SMILESCCCOC(=O)OCC(=O)C1CCCCC1
InChIInChI=1S/C12H20O4/c1-2-8-15-12(14)16-9-11(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyWGWQNGYCXMQNKA-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-oxoethyl) propyl carbonate?
The IUPAC name of (2-cyclohexyl-2-oxoethyl) propyl carbonate (CID 141034667) is (2-cyclohexyl-2-oxoethyl) propyl carbonate.
What is the SMILES notation for (2-cyclohexyl-2-oxoethyl) propyl carbonate?
The canonical SMILES for (2-cyclohexyl-2-oxoethyl) propyl carbonate is CCCOC(=O)OCC(=O)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-oxoethyl) propyl carbonate?
The InChIKey is WGWQNGYCXMQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-8-15-12(14)16-9-11(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of (2-cyclohexyl-2-oxoethyl) propyl carbonate?
(2-cyclohexyl-2-oxoethyl) propyl carbonate has a molecular weight of 228.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-oxoethyl) propyl carbonate is sourced from PubChem (CID 141034667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).