acetic acid;3-methoxypropan-1-ol

C6H14O4 — CID 71363248

IUPACacetic acid;3-methoxypropan-1-ol
SMILESCC(=O)O.COCCCO
InChIInChI=1S/C4H10O2.C2H4O2/c1-6-4-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyJRQRPEHDMUHRBE-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.11
Rot. Bonds3

About acetic acid;3-methoxypropan-1-ol

acetic acid;3-methoxypropan-1-ol (PubChem CID 71363248) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is acetic acid;3-methoxypropan-1-ol.

Molecular Properties

Compound Nameacetic acid;3-methoxypropan-1-ol
PubChem CID71363248
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Nameacetic acid;3-methoxypropan-1-ol
SMILESCC(=O)O.COCCCO
InChIInChI=1S/C4H10O2.C2H4O2/c1-6-4-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyJRQRPEHDMUHRBE-UHFFFAOYSA-N
XLogP0.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;butane-1,4-diol
CID 53446412
acetic acid;2-methoxyethanethiol
CID 162333628
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
acetic acid;azane;butane-1,4-diol
CID 175568117
acetic acid;3-butoxypropan-1-ol
CID 71441465
acetic acid;2-methoxyethyl hypochlorite
CID 174503241
butan-1-ol;1,2-dimethoxyethane
CID 86595378
bis(1-hydroxypropan-2-one);2-methoxyethanol
CID 88639054
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
butanedioic acid;butane-1,4-diol;4-methoxybutyl 4-oxopentanoate
CID 159514467

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methoxypropan-1-ol?
The IUPAC name of acetic acid;3-methoxypropan-1-ol (CID 71363248) is acetic acid;3-methoxypropan-1-ol.
What is the SMILES notation for acetic acid;3-methoxypropan-1-ol?
The canonical SMILES for acetic acid;3-methoxypropan-1-ol is CC(=O)O.COCCCO.
What is the InChIKey of acetic acid;3-methoxypropan-1-ol?
The InChIKey is JRQRPEHDMUHRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C2H4O2/c1-6-4-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-methoxypropan-1-ol?
acetic acid;3-methoxypropan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methoxypropan-1-ol is sourced from PubChem (CID 71363248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).