1-methoxypropane;propane-1,1-diol

C7H18O3 — CID 174611080

IUPAC1-methoxypropane;propane-1,1-diol
SMILESCCC(O)O.CCCOC
InChIInChI=1S/C4H10O.C3H8O2/c1-3-4-5-2;1-2-3(4)5/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyGNGHTPSGMRWURF-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.75
Rot. Bonds3

About 1-methoxypropane;propane-1,1-diol

1-methoxypropane;propane-1,1-diol (PubChem CID 174611080) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methoxypropane;propane-1,1-diol.

Molecular Properties

Compound Name1-methoxypropane;propane-1,1-diol
PubChem CID174611080
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Name1-methoxypropane;propane-1,1-diol
SMILESCCC(O)O.CCCOC
InChIInChI=1S/C4H10O.C3H8O2/c1-3-4-5-2;1-2-3(4)5/h3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyGNGHTPSGMRWURF-UHFFFAOYSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-methoxyethoxy)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;propane-1,1-diol?
The IUPAC name of 1-methoxypropane;propane-1,1-diol (CID 174611080) is 1-methoxypropane;propane-1,1-diol.
What is the SMILES notation for 1-methoxypropane;propane-1,1-diol?
The canonical SMILES for 1-methoxypropane;propane-1,1-diol is CCC(O)O.CCCOC.
What is the InChIKey of 1-methoxypropane;propane-1,1-diol?
The InChIKey is GNGHTPSGMRWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O2/c1-3-4-5-2;1-2-3(4)5/h3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of 1-methoxypropane;propane-1,1-diol?
1-methoxypropane;propane-1,1-diol has a molecular weight of 150.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;propane-1,1-diol is sourced from PubChem (CID 174611080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).