3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol

C11H20O3 — CID 121219272

IUPAC3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol
SMILESC=CC(C=C)(CCO)OC(C)OCC
InChIInChI=1S/C11H20O3/c1-5-11(6-2,8-9-12)14-10(4)13-7-3/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyGOGXXIZXMLOQKE-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds8

About 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol

3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol (PubChem CID 121219272) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol.

Molecular Properties

Compound Name3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol
PubChem CID121219272
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol
SMILESC=CC(C=C)(CCO)OC(C)OCC
InChIInChI=1S/C11H20O3/c1-5-11(6-2,8-9-12)14-10(4)13-7-3/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyGOGXXIZXMLOQKE-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(methoxymethoxy)-2,2-dimethylpent-4-en-1-ol
CID 71601285
3-(1-Ethoxyethoxy)-3-methylpent-1-ene
CID 134937261
(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol
CID 11094927
2-(Diethoxymethyl)pent-4-en-1-ol
CID 14183836
1-(2,3-Dimethylbut-3-en-2-yloxy)-2-ethylbut-3-en-1-ol
CID 53862166
1-Prop-2-enoxy-2-prop-2-enylpropane-1,3-diol
CID 57191826
3-Dihydropyranyloxy-3-methyl butanol
CID 67733041
(2R)-2-(1-butoxypent-4-enoxy)-2-methylbut-3-en-1-ol
CID 117815816
3-Ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol
CID 118378451
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-en-1-ol
CID 121380686
1-(Ethoxymethoxy)-2-(2-methylbut-3-en-2-yloxymethyl)butane
CID 138565499
5,5-Dimethoxy-3-methylpent-1-en-3-ol
CID 65985208

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol?
The IUPAC name of 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol (CID 121219272) is 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol.
What is the SMILES notation for 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol?
The canonical SMILES for 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol is C=CC(C=C)(CCO)OC(C)OCC.
What is the InChIKey of 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol?
The InChIKey is GOGXXIZXMLOQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11(6-2,8-9-12)14-10(4)13-7-3/h5-6,10,12H,1-2,7-9H2,3-4H3.
What are the key properties of 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol?
3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol is sourced from PubChem (CID 121219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).