(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol

C8H16O3 — CID 50922919

IUPAC(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOCC)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-8(7(3)9)11-6-10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m1/s1
InChIKeyQIVNPNKCABEKNQ-HTQZYQBOSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol

(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol (PubChem CID 50922919) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol
PubChem CID50922919
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOCC)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-8(7(3)9)11-6-10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m1/s1
InChIKeyQIVNPNKCABEKNQ-HTQZYQBOSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
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

(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
1-(ethoxymethoxy)butan-1-ol
CID 19047954
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
CID 171424208
CID 171424208
CID 159597367
CID 159597367
ethoxymethyl 2-hydroxypropanoate
CID 87466299
4-hydroxypent-1-en-3-yl acetate
CID 130149697
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
4-ethoxy-3-(ethoxymethyl)but-1-ene
CID 23573612
3-(ethoxymethoxymethyl)dec-1-ene
CID 150328401

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol (CID 50922919) is (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol is C=C[C@@H](OCOCC)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol?
The InChIKey is QIVNPNKCABEKNQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(7(3)9)11-6-10-5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol?
(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 50922919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).