3-ethoxypropan-1-ol

C5H12O2 — CID 8109

IUPAC3-ethoxypropan-1-ol
SMILESCCOCCCO
InChIInChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKeyXHMWPVBQGARKQM-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.41
Rot. Bonds4

About 3-ethoxypropan-1-ol

3-ethoxypropan-1-ol (PubChem CID 8109) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 3-ethoxypropan-1-ol.

Molecular Properties

Compound Name3-ethoxypropan-1-ol
PubChem CID8109
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name3-ethoxypropan-1-ol
SMILESCCOCCCO
InChIInChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKeyXHMWPVBQGARKQM-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propylene glycol propyl ether
CID 61868
3-Methoxy-1-propanol
CID 74116
3,3'-Dihydroxydipropyl ether
CID 32857
4-Ethoxybutanol
CID 8131
3-Isopropoxy-1-propanol
CID 99378
3-Butoxy-1-propanol
CID 82457
Propylene glycol isobutyl ether
CID 118605
3-Methoxy-2-methylpropan-1-ol
CID 18624857
1-Propanol, 3-3-(3-methoxypropoxy)propoxy-
CID 25733
3-(3-Ethoxypropoxy)propan-1-ol
CID 85087
Propanol, 3-(2-ethoxyethoxy)-
CID 202333
3-Ethoxy-butan-1-OL
CID 5148119

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropan-1-ol?
The IUPAC name of 3-ethoxypropan-1-ol (CID 8109) is 3-ethoxypropan-1-ol.
What is the SMILES notation for 3-ethoxypropan-1-ol?
The canonical SMILES for 3-ethoxypropan-1-ol is CCOCCCO.
What is the InChIKey of 3-ethoxypropan-1-ol?
The InChIKey is XHMWPVBQGARKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-ethoxypropan-1-ol?
3-ethoxypropan-1-ol has a molecular weight of 104.15 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropan-1-ol is sourced from PubChem (CID 8109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).