cumene;2-methoxy-2-methylpropane

C14H24O — CID 68666509

IUPACcumene;2-methoxy-2-methylpropane
SMILESCC(C)c1ccccc1.COC(C)(C)C
InChIInChI=1S/C9H12.C5H12O/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)6-4/h3-8H,1-2H3;1-4H3
InChIKeyXOKYUZGAMOBEMV-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.24
Rot. Bonds1

About cumene;2-methoxy-2-methylpropane

cumene;2-methoxy-2-methylpropane (PubChem CID 68666509) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cumene;2-methoxy-2-methylpropane.

Molecular Properties

Compound Namecumene;2-methoxy-2-methylpropane
PubChem CID68666509
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecumene;2-methoxy-2-methylpropane
SMILESCC(C)c1ccccc1.COC(C)(C)C
InChIInChI=1S/C9H12.C5H12O/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)6-4/h3-8H,1-2H3;1-4H3
InChIKeyXOKYUZGAMOBEMV-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
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CID 87136222
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CID 161044029

Frequently Asked Questions

What is the IUPAC name of cumene;2-methoxy-2-methylpropane?
The IUPAC name of cumene;2-methoxy-2-methylpropane (CID 68666509) is cumene;2-methoxy-2-methylpropane.
What is the SMILES notation for cumene;2-methoxy-2-methylpropane?
The canonical SMILES for cumene;2-methoxy-2-methylpropane is CC(C)c1ccccc1.COC(C)(C)C.
What is the InChIKey of cumene;2-methoxy-2-methylpropane?
The InChIKey is XOKYUZGAMOBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H12O/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)6-4/h3-8H,1-2H3;1-4H3.
What are the key properties of cumene;2-methoxy-2-methylpropane?
cumene;2-methoxy-2-methylpropane has a molecular weight of 208.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-methoxy-2-methylpropane is sourced from PubChem (CID 68666509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).