1-ethoxyethoxycyclododecane

C16H32O2 — CID 22717736

IUPAC1-ethoxyethoxycyclododecane
SMILESCCOC(C)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-17-15(2)18-16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3
InChIKeyCNANHJLQJZEVPS-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds4

About 1-ethoxyethoxycyclododecane

1-ethoxyethoxycyclododecane (PubChem CID 22717736) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-ethoxyethoxycyclododecane.

Molecular Properties

Compound Name1-ethoxyethoxycyclododecane
PubChem CID22717736
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-ethoxyethoxycyclododecane
SMILESCCOC(C)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-17-15(2)18-16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3
InChIKeyCNANHJLQJZEVPS-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethoxycyclododecane?
The IUPAC name of 1-ethoxyethoxycyclododecane (CID 22717736) is 1-ethoxyethoxycyclododecane.
What is the SMILES notation for 1-ethoxyethoxycyclododecane?
The canonical SMILES for 1-ethoxyethoxycyclododecane is CCOC(C)OC1CCCCCCCCCCC1.
What is the InChIKey of 1-ethoxyethoxycyclododecane?
The InChIKey is CNANHJLQJZEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-17-15(2)18-16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-ethoxyethoxycyclododecane?
1-ethoxyethoxycyclododecane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethoxycyclododecane is sourced from PubChem (CID 22717736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).