benzene;2,2-dimethoxypropane

C11H18O2 — CID 174975680

IUPACbenzene;2,2-dimethoxypropane
SMILESCOC(C)(C)OC.c1ccccc1
InChIInChI=1S/C6H6.C5H12O2/c1-2-4-6-5-3-1;1-5(2,6-3)7-4/h1-6H;1-4H3
InChIKeyUHCFXRVAWOYVCD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.70
Rot. Bonds2

About benzene;2,2-dimethoxypropane

benzene;2,2-dimethoxypropane (PubChem CID 174975680) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is benzene;2,2-dimethoxypropane.

Molecular Properties

Compound Namebenzene;2,2-dimethoxypropane
PubChem CID174975680
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namebenzene;2,2-dimethoxypropane
SMILESCOC(C)(C)OC.c1ccccc1
InChIInChI=1S/C6H6.C5H12O2/c1-2-4-6-5-3-1;1-5(2,6-3)7-4/h1-6H;1-4H3
InChIKeyUHCFXRVAWOYVCD-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;tetrakis(2,2-dimethylpropane);methoxymethane
CID 158308744
benzene;2,2-dimethylpropane;ethane;methoxymethane
CID 159793869
2,2-dimethoxypropane;bis(2,2-dimethylpropane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
CID 162093824
benzenesulfonic acid;2,2-dimethoxypropane
CID 90422071
2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
CID 161459910
benzene;methane;methoxymethane
CID 157389022
benzene;ethane;methoxymethane
CID 159850275
benzene;methoxymethane;hydrate
CID 174949268
2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
CID 159261197
(1S)-1-methoxy-1-phenylethanol
CID 141414609
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
(1-fluoro-1-methoxyethyl)benzene
CID 89466800

Frequently Asked Questions

What is the IUPAC name of benzene;2,2-dimethoxypropane?
The IUPAC name of benzene;2,2-dimethoxypropane (CID 174975680) is benzene;2,2-dimethoxypropane.
What is the SMILES notation for benzene;2,2-dimethoxypropane?
The canonical SMILES for benzene;2,2-dimethoxypropane is COC(C)(C)OC.c1ccccc1.
What is the InChIKey of benzene;2,2-dimethoxypropane?
The InChIKey is UHCFXRVAWOYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H12O2/c1-2-4-6-5-3-1;1-5(2,6-3)7-4/h1-6H;1-4H3.
What are the key properties of benzene;2,2-dimethoxypropane?
benzene;2,2-dimethoxypropane has a molecular weight of 182.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,2-dimethoxypropane is sourced from PubChem (CID 174975680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).