2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane

C19H42O5 — CID 91549300

IUPAC2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane
SMILESCC1(C)CCCCO1.CCOC(C)(C)OCC.COC(C)(C)OC
InChIInChI=1S/C7H16O2.C7H14O.C5H12O2/c1-5-8-7(3,4)9-6-2;1-7(2)5-3-4-6-8-7;1-5(2,6-3)7-4/h5-6H2,1-4H3;3-6H2,1-2H3;1-4H3
InChIKeyKVWBJDYBDLSWGM-UHFFFAOYSA-N
MW350.54 g/mol
LogP4.78
Rot. Bonds6

About 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane

2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane (PubChem CID 91549300) has the molecular formula C19H42O5 and a molecular weight of 350.54 g/mol. Its IUPAC name is 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane.

Molecular Properties

Compound Name2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane
PubChem CID91549300
Molecular FormulaC19H42O5
Molecular Weight350.54 g/mol
Exact Mass350.30
IUPAC Name2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane
SMILESCC1(C)CCCCO1.CCOC(C)(C)OCC.COC(C)(C)OC
InChIInChI=1S/C7H16O2.C7H14O.C5H12O2/c1-5-8-7(3,4)9-6-2;1-7(2)5-3-4-6-8-7;1-5(2,6-3)7-4/h5-6H2,1-4H3;3-6H2,1-2H3;1-4H3
InChIKeyKVWBJDYBDLSWGM-UHFFFAOYSA-N
XLogP4.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyloxane;methanamine
CID 144836185
2,2-dimethyloxane;ethane;3-methylbutan-1-ol
CID 178173409
ethene;2-ethoxy-2-methyloxane
CID 162017972
trimethoxy-[2-(2-methyloxan-2-yl)silylethyl]silane
CID 123215373
2-ethoxypropan-2-yloxy-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxysilane
CID 174053359
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
trimethoxy-(2-methyloxan-2-yl)silane
CID 174779406
18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
CID 118518691
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2,2,3-triethoxy-3-methyloxane
CID 150971833
2-butyl-2-methyloxane
CID 13494550

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane?
The IUPAC name of 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane (CID 91549300) is 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane.
What is the SMILES notation for 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane?
The canonical SMILES for 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane is CC1(C)CCCCO1.CCOC(C)(C)OCC.COC(C)(C)OC.
What is the InChIKey of 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane?
The InChIKey is KVWBJDYBDLSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C7H14O.C5H12O2/c1-5-8-7(3,4)9-6-2;1-7(2)5-3-4-6-8-7;1-5(2,6-3)7-4/h5-6H2,1-4H3;3-6H2,1-2H3;1-4H3.
What are the key properties of 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane?
2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane has a molecular weight of 350.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane is sourced from PubChem (CID 91549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).