2-decoxy-6-methyloxane

C16H32O2 — CID 160930984

IUPAC2-decoxy-6-methyloxane
SMILESCCCCCCCCCCOC1CCCC(C)O1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-14-17-16-13-11-12-15(2)18-16/h15-16H,3-14H2,1-2H3
InChIKeyCETAZUFEOUPRCQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds10

About 2-decoxy-6-methyloxane

2-decoxy-6-methyloxane (PubChem CID 160930984) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-decoxy-6-methyloxane.

Molecular Properties

Compound Name2-decoxy-6-methyloxane
PubChem CID160930984
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-decoxy-6-methyloxane
SMILESCCCCCCCCCCOC1CCCC(C)O1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-14-17-16-13-11-12-15(2)18-16/h15-16H,3-14H2,1-2H3
InChIKeyCETAZUFEOUPRCQ-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-decoxy-6-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octacosoxyoxane
CID 11214102
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
2,6-dipropoxyoxane
CID 524398
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
heptoxycyclopropane
CID 54099544
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
diethyl 2-[(1R)-1-[(6S)-6-methyloxan-2-yl]oxyheptyl]propanedioate
CID 134999994
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-6-methyloxane?
The IUPAC name of 2-decoxy-6-methyloxane (CID 160930984) is 2-decoxy-6-methyloxane.
What is the SMILES notation for 2-decoxy-6-methyloxane?
The canonical SMILES for 2-decoxy-6-methyloxane is CCCCCCCCCCOC1CCCC(C)O1.
What is the InChIKey of 2-decoxy-6-methyloxane?
The InChIKey is CETAZUFEOUPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-14-17-16-13-11-12-15(2)18-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-decoxy-6-methyloxane?
2-decoxy-6-methyloxane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-6-methyloxane is sourced from PubChem (CID 160930984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).