4-methoxy-2-methyltridecane

C15H32O — CID 150137637

IUPAC4-methoxy-2-methyltridecane
SMILESCCCCCCCCCC(CC(C)C)OC
InChIInChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-15(16-4)13-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyFCOXQCXCOZEUKY-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.19
Rot. Bonds11

About 4-methoxy-2-methyltridecane

4-methoxy-2-methyltridecane (PubChem CID 150137637) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-methoxy-2-methyltridecane.

Molecular Properties

Compound Name4-methoxy-2-methyltridecane
PubChem CID150137637
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name4-methoxy-2-methyltridecane
SMILESCCCCCCCCCC(CC(C)C)OC
InChIInChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-15(16-4)13-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyFCOXQCXCOZEUKY-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methoxyundecane
CID 118889956
(7R)-7-methoxy-2-methylundecane
CID 118890177
9-methoxypentadecan-2-amine
CID 89335213
2-methyltridecan-4-yl dihydrogen phosphite
CID 154375180
(1R,3R)-1-ethoxy-1,3-dimethoxydodecane
CID 98092966
12-methoxyoctadecan-1-ol
CID 18347175
(4S)-4-methoxyundecan-1-ol
CID 53329455
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
2-(2-methoxyhexadecyl)icosanoic acid
CID 70192088
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
7,9,13-trimethoxyoctadecanoic acid
CID 22371558
2-(2-methylnonan-4-yloxy)ethanol
CID 142712556

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyltridecane?
The IUPAC name of 4-methoxy-2-methyltridecane (CID 150137637) is 4-methoxy-2-methyltridecane.
What is the SMILES notation for 4-methoxy-2-methyltridecane?
The canonical SMILES for 4-methoxy-2-methyltridecane is CCCCCCCCCC(CC(C)C)OC.
What is the InChIKey of 4-methoxy-2-methyltridecane?
The InChIKey is FCOXQCXCOZEUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-6-7-8-9-10-11-12-15(16-4)13-14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of 4-methoxy-2-methyltridecane?
4-methoxy-2-methyltridecane has a molecular weight of 228.42 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyltridecane is sourced from PubChem (CID 150137637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).