2-methoxy-6,10-dimethyltridecane

C16H34O — CID 91615428

IUPAC2-methoxy-6,10-dimethyltridecane
SMILESCCCC(C)CCCC(C)CCCC(C)OC
InChIInChI=1S/C16H34O/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-16H,6-13H2,1-5H3
InChIKeyZYHCPUPVGFELTE-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds11

About 2-methoxy-6,10-dimethyltridecane

2-methoxy-6,10-dimethyltridecane (PubChem CID 91615428) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-methoxy-6,10-dimethyltridecane.

Molecular Properties

Compound Name2-methoxy-6,10-dimethyltridecane
PubChem CID91615428
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2-methoxy-6,10-dimethyltridecane
SMILESCCCC(C)CCCC(C)CCCC(C)OC
InChIInChI=1S/C16H34O/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-16H,6-13H2,1-5H3
InChIKeyZYHCPUPVGFELTE-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,10-dimethyltridecane?
The IUPAC name of 2-methoxy-6,10-dimethyltridecane (CID 91615428) is 2-methoxy-6,10-dimethyltridecane.
What is the SMILES notation for 2-methoxy-6,10-dimethyltridecane?
The canonical SMILES for 2-methoxy-6,10-dimethyltridecane is CCCC(C)CCCC(C)CCCC(C)OC.
What is the InChIKey of 2-methoxy-6,10-dimethyltridecane?
The InChIKey is ZYHCPUPVGFELTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-16H,6-13H2,1-5H3.
What are the key properties of 2-methoxy-6,10-dimethyltridecane?
2-methoxy-6,10-dimethyltridecane has a molecular weight of 242.45 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,10-dimethyltridecane is sourced from PubChem (CID 91615428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).