cumene;2-methyloxane

C15H24O — CID 156699052

IUPACcumene;2-methyloxane
SMILESCC(C)c1ccccc1.CC1CCCCO1
InChIInChI=1S/C9H12.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-6-4-2-3-5-7-6/h3-8H,1-2H3;6H,2-5H2,1H3
InChIKeyYGANHQDRSGNGSV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.39
Rot. Bonds1

About cumene;2-methyloxane

cumene;2-methyloxane (PubChem CID 156699052) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is cumene;2-methyloxane.

Molecular Properties

Compound Namecumene;2-methyloxane
PubChem CID156699052
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Namecumene;2-methyloxane
SMILESCC(C)c1ccccc1.CC1CCCCO1
InChIInChI=1S/C9H12.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-6-4-2-3-5-7-6/h3-8H,1-2H3;6H,2-5H2,1H3
InChIKeyYGANHQDRSGNGSV-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cumene;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

ethylbenzene;2-methyloxane
CID 159203752
2-methyloxolane;toluene
CID 66810937
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
2-methyloxane;propane
CID 171074580
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
oxan-2-yl-bis(2-phenylpropyl)silane
CID 173275446

Frequently Asked Questions

What is the IUPAC name of cumene;2-methyloxane?
The IUPAC name of cumene;2-methyloxane (CID 156699052) is cumene;2-methyloxane.
What is the SMILES notation for cumene;2-methyloxane?
The canonical SMILES for cumene;2-methyloxane is CC(C)c1ccccc1.CC1CCCCO1.
What is the InChIKey of cumene;2-methyloxane?
The InChIKey is YGANHQDRSGNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H12O/c1-8(2)9-6-4-3-5-7-9;1-6-4-2-3-5-7-6/h3-8H,1-2H3;6H,2-5H2,1H3.
What are the key properties of cumene;2-methyloxane?
cumene;2-methyloxane has a molecular weight of 220.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-methyloxane is sourced from PubChem (CID 156699052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).