1-methoxy-1,3-dipropoxypropane

C10H22O3 — CID 54152160

IUPAC1-methoxy-1,3-dipropoxypropane
SMILESCCCOCCC(OC)OCCC
InChIInChI=1S/C10H22O3/c1-4-7-12-9-6-10(11-3)13-8-5-2/h10H,4-9H2,1-3H3
InChIKeyOYEXXPIFIDYABT-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.20
Rot. Bonds9

About 1-methoxy-1,3-dipropoxypropane

1-methoxy-1,3-dipropoxypropane (PubChem CID 54152160) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-methoxy-1,3-dipropoxypropane.

Molecular Properties

Compound Name1-methoxy-1,3-dipropoxypropane
PubChem CID54152160
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-methoxy-1,3-dipropoxypropane
SMILESCCCOCCC(OC)OCCC
InChIInChI=1S/C10H22O3/c1-4-7-12-9-6-10(11-3)13-8-5-2/h10H,4-9H2,1-3H3
InChIKeyOYEXXPIFIDYABT-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.20
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

1-methoxy-1-propoxypropane
CID 19963975
4-methoxy-4-propoxybutan-1-amine
CID 173191706
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
3-methyl-1-propoxypentane
CID 123388243
1-methoxy-1-propoxyhex-3-ene
CID 141349600
3-ethoxy-1-propoxybutane
CID 89015567
1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
CID 175177315
4-butoxy-1,1,1-trifluoro-4-methoxybutane
CID 71345040
3-butoxy-1-propoxybutane
CID 57175368
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
ethane;propane;1-propoxypropane
CID 143757970
1-(3,7-dimethyloctoxy)-1-methoxydecane
CID 3022843

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,3-dipropoxypropane?
The IUPAC name of 1-methoxy-1,3-dipropoxypropane (CID 54152160) is 1-methoxy-1,3-dipropoxypropane.
What is the SMILES notation for 1-methoxy-1,3-dipropoxypropane?
The canonical SMILES for 1-methoxy-1,3-dipropoxypropane is CCCOCCC(OC)OCCC.
What is the InChIKey of 1-methoxy-1,3-dipropoxypropane?
The InChIKey is OYEXXPIFIDYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-7-12-9-6-10(11-3)13-8-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-1,3-dipropoxypropane?
1-methoxy-1,3-dipropoxypropane has a molecular weight of 190.28 g/mol, XLogP of 2.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,3-dipropoxypropane is sourced from PubChem (CID 54152160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).