cyclohexyl 2-methoxyethyl carbonate

C10H18O4 — CID 91693769

IUPACcyclohexyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OC1CCCCC1
InChIInChI=1S/C10H18O4/c1-12-7-8-13-10(11)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKCEGKWREMWDFQX-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.12
Rot. Bonds4

About cyclohexyl 2-methoxyethyl carbonate

cyclohexyl 2-methoxyethyl carbonate (PubChem CID 91693769) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclohexyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Namecyclohexyl 2-methoxyethyl carbonate
PubChem CID91693769
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclohexyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OC1CCCCC1
InChIInChI=1S/C10H18O4/c1-12-7-8-13-10(11)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKCEGKWREMWDFQX-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methoxyethyl carbonate?
The IUPAC name of cyclohexyl 2-methoxyethyl carbonate (CID 91693769) is cyclohexyl 2-methoxyethyl carbonate.
What is the SMILES notation for cyclohexyl 2-methoxyethyl carbonate?
The canonical SMILES for cyclohexyl 2-methoxyethyl carbonate is COCCOC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methoxyethyl carbonate?
The InChIKey is KCEGKWREMWDFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-7-8-13-10(11)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of cyclohexyl 2-methoxyethyl carbonate?
cyclohexyl 2-methoxyethyl carbonate has a molecular weight of 202.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methoxyethyl carbonate is sourced from PubChem (CID 91693769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).