acetic acid;1-methoxy-2-propoxypropane

C9H20O4 — CID 159297729

IUPACacetic acid;1-methoxy-2-propoxypropane
SMILESCC(=O)O.CCCOC(C)COC
InChIInChI=1S/C7H16O2.C2H4O2/c1-4-5-9-7(2)6-8-3;1-2(3)4/h7H,4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyLAYBHYDSEVVQNB-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.54
Rot. Bonds5

About acetic acid;1-methoxy-2-propoxypropane

acetic acid;1-methoxy-2-propoxypropane (PubChem CID 159297729) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is acetic acid;1-methoxy-2-propoxypropane.

Molecular Properties

Compound Nameacetic acid;1-methoxy-2-propoxypropane
PubChem CID159297729
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nameacetic acid;1-methoxy-2-propoxypropane
SMILESCC(=O)O.CCCOC(C)COC
InChIInChI=1S/C7H16O2.C2H4O2/c1-4-5-9-7(2)6-8-3;1-2(3)4/h7H,4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyLAYBHYDSEVVQNB-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
propyl 3-propoxybutanoate
CID 175273522
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-methylidene-4-propoxypentanoic acid
CID 22065599
(2R)-2-amino-4-propoxypentanoic acid
CID 89091737
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methoxy-2-propoxypropane?
The IUPAC name of acetic acid;1-methoxy-2-propoxypropane (CID 159297729) is acetic acid;1-methoxy-2-propoxypropane.
What is the SMILES notation for acetic acid;1-methoxy-2-propoxypropane?
The canonical SMILES for acetic acid;1-methoxy-2-propoxypropane is CC(=O)O.CCCOC(C)COC.
What is the InChIKey of acetic acid;1-methoxy-2-propoxypropane?
The InChIKey is LAYBHYDSEVVQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C2H4O2/c1-4-5-9-7(2)6-8-3;1-2(3)4/h7H,4-6H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methoxy-2-propoxypropane?
acetic acid;1-methoxy-2-propoxypropane has a molecular weight of 192.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methoxy-2-propoxypropane is sourced from PubChem (CID 159297729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).