cyclohexyl 2-methylpropyl carbonate

C11H20O3 — CID 59320449

IUPACcyclohexyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyJJVYAOKOEVWOFU-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds3

About cyclohexyl 2-methylpropyl carbonate

cyclohexyl 2-methylpropyl carbonate (PubChem CID 59320449) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is cyclohexyl 2-methylpropyl carbonate.

Molecular Properties

Compound Namecyclohexyl 2-methylpropyl carbonate
PubChem CID59320449
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namecyclohexyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CCCCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyJJVYAOKOEVWOFU-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 cyclohexyl 2-methylpropyl carbonate?
The IUPAC name of cyclohexyl 2-methylpropyl carbonate (CID 59320449) is cyclohexyl 2-methylpropyl carbonate.
What is the SMILES notation for cyclohexyl 2-methylpropyl carbonate?
The canonical SMILES for cyclohexyl 2-methylpropyl carbonate is CC(C)COC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methylpropyl carbonate?
The InChIKey is JJVYAOKOEVWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of cyclohexyl 2-methylpropyl carbonate?
cyclohexyl 2-methylpropyl 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 cyclohexyl 2-methylpropyl carbonate is sourced from PubChem (CID 59320449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).