5-ethoxyheptan-1-ol

C9H20O2 — CID 15053038

IUPAC5-ethoxyheptan-1-ol
SMILESCCOC(CC)CCCCO
InChIInChI=1S/C9H20O2/c1-3-9(11-4-2)7-5-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyZJLRAQYKHFMAPE-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds7

About 5-ethoxyheptan-1-ol

5-ethoxyheptan-1-ol (PubChem CID 15053038) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-ethoxyheptan-1-ol.

Molecular Properties

Compound Name5-ethoxyheptan-1-ol
PubChem CID15053038
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name5-ethoxyheptan-1-ol
SMILESCCOC(CC)CCCCO
InChIInChI=1S/C9H20O2/c1-3-9(11-4-2)7-5-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyZJLRAQYKHFMAPE-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
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

3-ethoxyheptane-1,7-diol
CID 57097049
4-ethoxyoctan-1-ol
CID 21254369
7-methoxynonan-1-ol
CID 91306225
4-ethoxyhexan-1-amine
CID 21432824
(2S)-2-ethoxybutan-1-ol
CID 89167253
8-hydroxyoctan-3-yl acetate
CID 101015615
[(3S)-7-hydroxyheptan-3-yl] nitrate
CID 59370631
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
9-ethoxyoctadecane
CID 87148376
12-butoxyoctadecan-1-ol
CID 139752074

Frequently Asked Questions

What is the IUPAC name of 5-ethoxyheptan-1-ol?
The IUPAC name of 5-ethoxyheptan-1-ol (CID 15053038) is 5-ethoxyheptan-1-ol.
What is the SMILES notation for 5-ethoxyheptan-1-ol?
The canonical SMILES for 5-ethoxyheptan-1-ol is CCOC(CC)CCCCO.
What is the InChIKey of 5-ethoxyheptan-1-ol?
The InChIKey is ZJLRAQYKHFMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-9(11-4-2)7-5-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-ethoxyheptan-1-ol?
5-ethoxyheptan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxyheptan-1-ol is sourced from PubChem (CID 15053038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).