(E)-6-(ethoxymethoxy)hex-3-en-1-ol

C9H18O3 — CID 163205159

IUPAC(E)-6-(ethoxymethoxy)hex-3-en-1-ol
SMILESCCOCOCC/C=C/CCO
InChIInChI=1S/C9H18O3/c1-2-11-9-12-8-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKeyUUANOFRJIVLMKY-ONEGZZNKSA-N
MW174.24 g/mol
LogP1.33
Rot. Bonds8

About (E)-6-(ethoxymethoxy)hex-3-en-1-ol

(E)-6-(ethoxymethoxy)hex-3-en-1-ol (PubChem CID 163205159) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-6-(ethoxymethoxy)hex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6-(ethoxymethoxy)hex-3-en-1-ol
PubChem CID163205159
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(E)-6-(ethoxymethoxy)hex-3-en-1-ol
SMILESCCOCOCC/C=C/CCO
InChIInChI=1S/C9H18O3/c1-2-11-9-12-8-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKeyUUANOFRJIVLMKY-ONEGZZNKSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethoxy)ethanol;methane
CID 161049007
1-(ethoxymethoxy)-13-iodotridec-3-ene
CID 163205082
1-ethoxyhept-3-ene
CID 547708
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
CID 163204941
magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
CID 163204805
(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229356
(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
CID 175229318
1-bromo-2-(ethoxymethoxy)ethane
CID 46942229

Frequently Asked Questions

What is the IUPAC name of (E)-6-(ethoxymethoxy)hex-3-en-1-ol?
The IUPAC name of (E)-6-(ethoxymethoxy)hex-3-en-1-ol (CID 163205159) is (E)-6-(ethoxymethoxy)hex-3-en-1-ol.
What is the SMILES notation for (E)-6-(ethoxymethoxy)hex-3-en-1-ol?
The canonical SMILES for (E)-6-(ethoxymethoxy)hex-3-en-1-ol is CCOCOCC/C=C/CCO.
What is the InChIKey of (E)-6-(ethoxymethoxy)hex-3-en-1-ol?
The InChIKey is UUANOFRJIVLMKY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-11-9-12-8-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3/b4-3+.
What are the key properties of (E)-6-(ethoxymethoxy)hex-3-en-1-ol?
(E)-6-(ethoxymethoxy)hex-3-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(ethoxymethoxy)hex-3-en-1-ol is sourced from PubChem (CID 163205159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).