1-methoxy-2-methylcyclododecane

C14H28O — CID 85264052

IUPAC1-methoxy-2-methylcyclododecane
SMILESCOC1CCCCCCCCCCC1C
InChIInChI=1S/C14H28O/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)15-2/h13-14H,3-12H2,1-2H3
InChIKeyLTSODNQTRWUGRW-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds1

About 1-methoxy-2-methylcyclododecane

1-methoxy-2-methylcyclododecane (PubChem CID 85264052) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methoxy-2-methylcyclododecane.

Molecular Properties

Compound Name1-methoxy-2-methylcyclododecane
PubChem CID85264052
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-methoxy-2-methylcyclododecane
SMILESCOC1CCCCCCCCCCC1C
InChIInChI=1S/C14H28O/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)15-2/h13-14H,3-12H2,1-2H3
InChIKeyLTSODNQTRWUGRW-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylcyclododecane?
The IUPAC name of 1-methoxy-2-methylcyclododecane (CID 85264052) is 1-methoxy-2-methylcyclododecane.
What is the SMILES notation for 1-methoxy-2-methylcyclododecane?
The canonical SMILES for 1-methoxy-2-methylcyclododecane is COC1CCCCCCCCCCC1C.
What is the InChIKey of 1-methoxy-2-methylcyclododecane?
The InChIKey is LTSODNQTRWUGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)15-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-methoxy-2-methylcyclododecane?
1-methoxy-2-methylcyclododecane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylcyclododecane is sourced from PubChem (CID 85264052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).