cyclohexylmethyl ethyl carbonate

C10H18O3 — CID 23388344

IUPACcyclohexylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCCCC1
InChIInChI=1S/C10H18O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeySDJYCGZAOAKUKM-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.74
Rot. Bonds3

About cyclohexylmethyl ethyl carbonate

cyclohexylmethyl ethyl carbonate (PubChem CID 23388344) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclohexylmethyl ethyl carbonate.

Molecular Properties

Compound Namecyclohexylmethyl ethyl carbonate
PubChem CID23388344
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclohexylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CCCCC1
InChIInChI=1S/C10H18O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeySDJYCGZAOAKUKM-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl ethyl carbonate?
The IUPAC name of cyclohexylmethyl ethyl carbonate (CID 23388344) is cyclohexylmethyl ethyl carbonate.
What is the SMILES notation for cyclohexylmethyl ethyl carbonate?
The canonical SMILES for cyclohexylmethyl ethyl carbonate is CCOC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl ethyl carbonate?
The InChIKey is SDJYCGZAOAKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of cyclohexylmethyl ethyl carbonate?
cyclohexylmethyl ethyl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl ethyl carbonate is sourced from PubChem (CID 23388344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).