1-ethoxy-1-methylcyclododecane

C15H30O — CID 54241120

IUPAC1-ethoxy-1-methylcyclododecane
SMILESCCOC1(C)CCCCCCCCCCC1
InChIInChI=1S/C15H30O/c1-3-16-15(2)13-11-9-7-5-4-6-8-10-12-14-15/h3-14H2,1-2H3
InChIKeyQQBPNKDHPKSNKN-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.09
Rot. Bonds2

About 1-ethoxy-1-methylcyclododecane

1-ethoxy-1-methylcyclododecane (PubChem CID 54241120) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-ethoxy-1-methylcyclododecane.

Molecular Properties

Compound Name1-ethoxy-1-methylcyclododecane
PubChem CID54241120
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-ethoxy-1-methylcyclododecane
SMILESCCOC1(C)CCCCCCCCCCC1
InChIInChI=1S/C15H30O/c1-3-16-15(2)13-11-9-7-5-4-6-8-10-12-14-15/h3-14H2,1-2H3
InChIKeyQQBPNKDHPKSNKN-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methylcyclododecane?
The IUPAC name of 1-ethoxy-1-methylcyclododecane (CID 54241120) is 1-ethoxy-1-methylcyclododecane.
What is the SMILES notation for 1-ethoxy-1-methylcyclododecane?
The canonical SMILES for 1-ethoxy-1-methylcyclododecane is CCOC1(C)CCCCCCCCCCC1.
What is the InChIKey of 1-ethoxy-1-methylcyclododecane?
The InChIKey is QQBPNKDHPKSNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-3-16-15(2)13-11-9-7-5-4-6-8-10-12-14-15/h3-14H2,1-2H3.
What are the key properties of 1-ethoxy-1-methylcyclododecane?
1-ethoxy-1-methylcyclododecane has a molecular weight of 226.40 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylcyclododecane is sourced from PubChem (CID 54241120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).