1,1,1,3-tetramethoxypropane

C7H16O4 — CID 10920853

IUPAC1,1,1,3-tetramethoxypropane
SMILESCOCCC(OC)(OC)OC
InChIInChI=1S/C7H16O4/c1-8-6-5-7(9-2,10-3)11-4/h5-6H2,1-4H3
InChIKeyOSFYRJIHPBMDPW-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.62
Rot. Bonds6

About 1,1,1,3-tetramethoxypropane

1,1,1,3-tetramethoxypropane (PubChem CID 10920853) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1,1,3-tetramethoxypropane.

Molecular Properties

Compound Name1,1,1,3-tetramethoxypropane
PubChem CID10920853
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1,1,1,3-tetramethoxypropane
SMILESCOCCC(OC)(OC)OC
InChIInChI=1S/C7H16O4/c1-8-6-5-7(9-2,10-3)11-4/h5-6H2,1-4H3
InChIKeyOSFYRJIHPBMDPW-UHFFFAOYSA-N
XLogP0.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
2,4-dimethoxy-2-methylbutanenitrile
CID 66072771
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
CID 58757996
1,1,1-trimethoxytridecane
CID 102481821
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetramethoxypropane?
The IUPAC name of 1,1,1,3-tetramethoxypropane (CID 10920853) is 1,1,1,3-tetramethoxypropane.
What is the SMILES notation for 1,1,1,3-tetramethoxypropane?
The canonical SMILES for 1,1,1,3-tetramethoxypropane is COCCC(OC)(OC)OC.
What is the InChIKey of 1,1,1,3-tetramethoxypropane?
The InChIKey is OSFYRJIHPBMDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-8-6-5-7(9-2,10-3)11-4/h5-6H2,1-4H3.
What are the key properties of 1,1,1,3-tetramethoxypropane?
1,1,1,3-tetramethoxypropane has a molecular weight of 164.20 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetramethoxypropane is sourced from PubChem (CID 10920853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).