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

C9H18O4 — CID 11424055

IUPAC(2S,3S)-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-IUCAKERBSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds8

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

(2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (PubChem CID 11424055) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
PubChem CID11424055
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,3S)-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-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The IUPAC name of (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol (CID 11424055) is (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is C=C[C@H](OCOCCOC)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
The InChIKey is ZUDYAQBKNXXWSP-IUCAKERBSA-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,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol?
(2S,3S)-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,3S)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 11424055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).