methyl 2-(4-oxocyclohexyl)ethyl carbonate

C10H16O4 — CID 140540616

IUPACmethyl 2-(4-oxocyclohexyl)ethyl carbonate
SMILESCOC(=O)OCCC1CCC(=O)CC1
InChIInChI=1S/C10H16O4/c1-13-10(12)14-7-6-8-2-4-9(11)5-3-8/h8H,2-7H2,1H3
InChIKeyULVJCIGAQFLNCE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-(4-oxocyclohexyl)ethyl carbonate

methyl 2-(4-oxocyclohexyl)ethyl carbonate (PubChem CID 140540616) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-(4-oxocyclohexyl)ethyl carbonate.

Molecular Properties

Compound Namemethyl 2-(4-oxocyclohexyl)ethyl carbonate
PubChem CID140540616
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-(4-oxocyclohexyl)ethyl carbonate
SMILESCOC(=O)OCCC1CCC(=O)CC1
InChIInChI=1S/C10H16O4/c1-13-10(12)14-7-6-8-2-4-9(11)5-3-8/h8H,2-7H2,1H3
InChIKeyULVJCIGAQFLNCE-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxocyclohexyl)ethyl carbonate?
The IUPAC name of methyl 2-(4-oxocyclohexyl)ethyl carbonate (CID 140540616) is methyl 2-(4-oxocyclohexyl)ethyl carbonate.
What is the SMILES notation for methyl 2-(4-oxocyclohexyl)ethyl carbonate?
The canonical SMILES for methyl 2-(4-oxocyclohexyl)ethyl carbonate is COC(=O)OCCC1CCC(=O)CC1.
What is the InChIKey of methyl 2-(4-oxocyclohexyl)ethyl carbonate?
The InChIKey is ULVJCIGAQFLNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-10(12)14-7-6-8-2-4-9(11)5-3-8/h8H,2-7H2,1H3.
What are the key properties of methyl 2-(4-oxocyclohexyl)ethyl carbonate?
methyl 2-(4-oxocyclohexyl)ethyl carbonate has a molecular weight of 200.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxocyclohexyl)ethyl carbonate is sourced from PubChem (CID 140540616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).