1,1-dimethoxypropan-1-ol;methane

C6H16O3 — CID 157160152

IUPAC1,1-dimethoxypropan-1-ol;methane
SMILESC.CCC(O)(OC)OC
InChIInChI=1S/C5H12O3.CH4/c1-4-5(6,7-2)8-3;/h6H,4H2,1-3H3;1H4
InChIKeyAMGVELQUFCUFRJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.97
Rot. Bonds3

About 1,1-dimethoxypropan-1-ol;methane

1,1-dimethoxypropan-1-ol;methane (PubChem CID 157160152) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-dimethoxypropan-1-ol;methane.

Molecular Properties

Compound Name1,1-dimethoxypropan-1-ol;methane
PubChem CID157160152
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-dimethoxypropan-1-ol;methane
SMILESC.CCC(O)(OC)OC
InChIInChI=1S/C5H12O3.CH4/c1-4-5(6,7-2)8-3;/h6H,4H2,1-3H3;1H4
InChIKeyAMGVELQUFCUFRJ-UHFFFAOYSA-N
XLogP0.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxypropan-1-ol;methane?
The IUPAC name of 1,1-dimethoxypropan-1-ol;methane (CID 157160152) is 1,1-dimethoxypropan-1-ol;methane.
What is the SMILES notation for 1,1-dimethoxypropan-1-ol;methane?
The canonical SMILES for 1,1-dimethoxypropan-1-ol;methane is C.CCC(O)(OC)OC.
What is the InChIKey of 1,1-dimethoxypropan-1-ol;methane?
The InChIKey is AMGVELQUFCUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.CH4/c1-4-5(6,7-2)8-3;/h6H,4H2,1-3H3;1H4.
What are the key properties of 1,1-dimethoxypropan-1-ol;methane?
1,1-dimethoxypropan-1-ol;methane has a molecular weight of 136.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypropan-1-ol;methane is sourced from PubChem (CID 157160152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).