2,2-dimethoxy-1-propoxypropane

C8H18O3 — CID 56997351

IUPAC2,2-dimethoxy-1-propoxypropane
SMILESCCCOCC(C)(OC)OC
InChIInChI=1S/C8H18O3/c1-5-6-11-7-8(2,9-3)10-4/h5-7H2,1-4H3
InChIKeyRKNDNPIJUBAEAX-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.42
Rot. Bonds6

About 2,2-dimethoxy-1-propoxypropane

2,2-dimethoxy-1-propoxypropane (PubChem CID 56997351) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,2-dimethoxy-1-propoxypropane.

Molecular Properties

Compound Name2,2-dimethoxy-1-propoxypropane
PubChem CID56997351
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2,2-dimethoxy-1-propoxypropane
SMILESCCCOCC(C)(OC)OC
InChIInChI=1S/C8H18O3/c1-5-6-11-7-8(2,9-3)10-4/h5-7H2,1-4H3
InChIKeyRKNDNPIJUBAEAX-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol
CID 160953059
2,2-dichloro-1-propoxypropane
CID 91753628
2,2-dibromo-1-propoxypropane
CID 87234864
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
1-(2,2,2-triethoxyethoxy)propane
CID 10751414
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
CID 20802182
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-propoxypropane?
The IUPAC name of 2,2-dimethoxy-1-propoxypropane (CID 56997351) is 2,2-dimethoxy-1-propoxypropane.
What is the SMILES notation for 2,2-dimethoxy-1-propoxypropane?
The canonical SMILES for 2,2-dimethoxy-1-propoxypropane is CCCOCC(C)(OC)OC.
What is the InChIKey of 2,2-dimethoxy-1-propoxypropane?
The InChIKey is RKNDNPIJUBAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-6-11-7-8(2,9-3)10-4/h5-7H2,1-4H3.
What are the key properties of 2,2-dimethoxy-1-propoxypropane?
2,2-dimethoxy-1-propoxypropane has a molecular weight of 162.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-propoxypropane is sourced from PubChem (CID 56997351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).