2-hexyl-2-methyloxane

C12H24O — CID 67835603

IUPAC2-hexyl-2-methyloxane
SMILESCCCCCCC1(C)CCCCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-9-12(2)10-7-8-11-13-12/h3-11H2,1-2H3
InChIKeyJEAGDOUEZUEWJM-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds5

About 2-hexyl-2-methyloxane

2-hexyl-2-methyloxane (PubChem CID 67835603) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-hexyl-2-methyloxane.

Molecular Properties

Compound Name2-hexyl-2-methyloxane
PubChem CID67835603
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-hexyl-2-methyloxane
SMILESCCCCCCC1(C)CCCCO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-9-12(2)10-7-8-11-13-12/h3-11H2,1-2H3
InChIKeyJEAGDOUEZUEWJM-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-2-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-heptyl-2-methyloxolane
CID 66630336
2-butyl-2-methyloxane
CID 13494550
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
(2-hexyloxan-2-yl)silane
CID 123313847
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
2-hexadecyl-2-methyloxirane
CID 87444144
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
2-pentyloxan-2-ol
CID 10035063
2-dodecyl-2,6,6-trimethyloxane
CID 134843954
dimethyl-(2-nonadecyloxan-2-yl)silane
CID 123381565

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyloxane?
The IUPAC name of 2-hexyl-2-methyloxane (CID 67835603) is 2-hexyl-2-methyloxane.
What is the SMILES notation for 2-hexyl-2-methyloxane?
The canonical SMILES for 2-hexyl-2-methyloxane is CCCCCCC1(C)CCCCO1.
What is the InChIKey of 2-hexyl-2-methyloxane?
The InChIKey is JEAGDOUEZUEWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-9-12(2)10-7-8-11-13-12/h3-11H2,1-2H3.
What are the key properties of 2-hexyl-2-methyloxane?
2-hexyl-2-methyloxane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyloxane is sourced from PubChem (CID 67835603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).