2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol

C12H28O7 — CID 160953059

IUPAC2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol
SMILESCOC(C)(CO)OC.COC(C)(COCCO)OC
InChIInChI=1S/C7H16O4.C5H12O3/c1-7(9-2,10-3)6-11-5-4-8;1-5(4-6,7-2)8-3/h8H,4-6H2,1-3H3;6H,4H2,1-3H3
InChIKeySWABUUQWAXCZDO-UHFFFAOYSA-N
MW284.35 g/mol
LogP-0.01
Rot. Bonds9

About 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol

2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol (PubChem CID 160953059) has the molecular formula C12H28O7 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol.

Molecular Properties

Compound Name2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol
PubChem CID160953059
Molecular FormulaC12H28O7
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC Name2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol
SMILESCOC(C)(CO)OC.COC(C)(COCCO)OC
InChIInChI=1S/C7H16O4.C5H12O3/c1-7(9-2,10-3)6-11-5-4-8;1-5(4-6,7-2)8-3/h8H,4-6H2,1-3H3;6H,4H2,1-3H3
InChIKeySWABUUQWAXCZDO-UHFFFAOYSA-N
XLogP-0.01
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(2-methoxy-2-methylpropoxy)ethoxy]ethanol
CID 174420073
2,2-dimethoxy-1-propoxypropane
CID 56997351
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,1-dimethoxyethanol
CID 140726713
2-(2-methoxybutan-2-yloxy)ethanol
CID 139725326
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1,1-dimethoxyethanol
CID 87213515
2-(2,2-diethoxy-2-methoxyethoxy)ethanol
CID 173193032
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol?
The IUPAC name of 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol (CID 160953059) is 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol.
What is the SMILES notation for 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol?
The canonical SMILES for 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol is COC(C)(CO)OC.COC(C)(COCCO)OC.
What is the InChIKey of 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol?
The InChIKey is SWABUUQWAXCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4.C5H12O3/c1-7(9-2,10-3)6-11-5-4-8;1-5(4-6,7-2)8-3/h8H,4-6H2,1-3H3;6H,4H2,1-3H3.
What are the key properties of 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol?
2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol has a molecular weight of 284.35 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropan-1-ol;2-(2,2-dimethoxypropoxy)ethanol is sourced from PubChem (CID 160953059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).