1-methoxy-2,6,9-trimethylcyclododecane

C16H32O — CID 70879863

IUPAC1-methoxy-2,6,9-trimethylcyclododecane
SMILESCOC1CCCC(C)CCC(C)CCCC1C
InChIInChI=1S/C16H32O/c1-13-7-5-9-15(3)16(17-4)10-6-8-14(2)12-11-13/h13-16H,5-12H2,1-4H3
InChIKeyYKJPKWSPWFPIJF-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.04
Rot. Bonds1

About 1-methoxy-2,6,9-trimethylcyclododecane

1-methoxy-2,6,9-trimethylcyclododecane (PubChem CID 70879863) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-methoxy-2,6,9-trimethylcyclododecane.

Molecular Properties

Compound Name1-methoxy-2,6,9-trimethylcyclododecane
PubChem CID70879863
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-methoxy-2,6,9-trimethylcyclododecane
SMILESCOC1CCCC(C)CCC(C)CCCC1C
InChIInChI=1S/C16H32O/c1-13-7-5-9-15(3)16(17-4)10-6-8-14(2)12-11-13/h13-16H,5-12H2,1-4H3
InChIKeyYKJPKWSPWFPIJF-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,6,9-trimethylcyclododecane?
The IUPAC name of 1-methoxy-2,6,9-trimethylcyclododecane (CID 70879863) is 1-methoxy-2,6,9-trimethylcyclododecane.
What is the SMILES notation for 1-methoxy-2,6,9-trimethylcyclododecane?
The canonical SMILES for 1-methoxy-2,6,9-trimethylcyclododecane is COC1CCCC(C)CCC(C)CCCC1C.
What is the InChIKey of 1-methoxy-2,6,9-trimethylcyclododecane?
The InChIKey is YKJPKWSPWFPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-13-7-5-9-15(3)16(17-4)10-6-8-14(2)12-11-13/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-methoxy-2,6,9-trimethylcyclododecane?
1-methoxy-2,6,9-trimethylcyclododecane has a molecular weight of 240.43 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6,9-trimethylcyclododecane is sourced from PubChem (CID 70879863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).