(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol

C9H18O4 — CID 124647096

IUPAC(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOCCOC)[C@H](C)O
InChIInChI=1S/C9H18O4/c1-4-9(8(2)10)13-7-12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyZUDYAQBKNXXWSP-DTWKUNHWSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds8

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

(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (PubChem CID 124647096) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
PubChem CID124647096
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOCCOC)[C@H](C)O
InChIInChI=1S/C9H18O4/c1-4-9(8(2)10)13-7-12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyZUDYAQBKNXXWSP-DTWKUNHWSA-N
XLogP0.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
4-(Methoxymethoxy)-2-methylhex-5-en-3-ol
CID 12916901
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
tert-butyl [(3R,4R)-4-hydroxyhexa-1,5-dien-3-yl] carbonate
CID 16086686
(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
CID 24823369
(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
CID 71567153
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
2-(1,1-Dimethoxyethoxy)but-3-en-1-ol
CID 176426629
1-Hydroxybut-3-en-2-yl methyl carbonate
CID 176426911

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (CID 124647096) is (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is C=C[C@@H](OCOCCOC)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The InChIKey is ZUDYAQBKNXXWSP-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-9(8(2)10)13-7-12-6-5-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol has a molecular weight of 190.24 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 124647096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).