1-ethoxyethanol;pentan-1-ol

C9H22O3 — CID 160817042

IUPAC1-ethoxyethanol;pentan-1-ol
SMILESCCCCCO.CCOC(C)O
InChIInChI=1S/C5H12O.C4H10O2/c1-2-3-4-5-6;1-3-6-4(2)5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeySFAOQHOQAUMUOE-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.53
Rot. Bonds5

About 1-ethoxyethanol;pentan-1-ol

1-ethoxyethanol;pentan-1-ol (PubChem CID 160817042) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-ethoxyethanol;pentan-1-ol.

Molecular Properties

Compound Name1-ethoxyethanol;pentan-1-ol
PubChem CID160817042
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Name1-ethoxyethanol;pentan-1-ol
SMILESCCCCCO.CCOC(C)O
InChIInChI=1S/C5H12O.C4H10O2/c1-2-3-4-5-6;1-3-6-4(2)5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3
InChIKeySFAOQHOQAUMUOE-UHFFFAOYSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
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

CID 159597367
CID 159597367
hexan-1-ol;2-methylpropane
CID 159802705
strontium;1-ethoxyethanol;hydride
CID 174472576
1-pentoxyethanol
CID 19598527
ethanamine;1-ethoxyethanol
CID 20501270
bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
azane;decan-1-ol;hydrate
CID 174925863
octan-1-ol;titanium;trihydrate
CID 87862444
diiodozirconium;bis(pentan-1-ol)
CID 18688311
hexan-1-ol;hydrate;hydrochloride
CID 86720799
1-heptacontoxyethanol
CID 169098461
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanol;pentan-1-ol?
The IUPAC name of 1-ethoxyethanol;pentan-1-ol (CID 160817042) is 1-ethoxyethanol;pentan-1-ol.
What is the SMILES notation for 1-ethoxyethanol;pentan-1-ol?
The canonical SMILES for 1-ethoxyethanol;pentan-1-ol is CCCCCO.CCOC(C)O.
What is the InChIKey of 1-ethoxyethanol;pentan-1-ol?
The InChIKey is SFAOQHOQAUMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H10O2/c1-2-3-4-5-6;1-3-6-4(2)5/h6H,2-5H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxyethanol;pentan-1-ol?
1-ethoxyethanol;pentan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanol;pentan-1-ol is sourced from PubChem (CID 160817042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).