(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol

C9H18O4 — CID 25128745

IUPAC(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
SMILESC=CC[C@H](CO)OCOCCOC
InChIInChI=1S/C9H18O4/c1-3-4-9(7-10)13-8-12-6-5-11-2/h3,9-10H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyANPXCIONZZNVDW-SECBINFHSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds9

About (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol

(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol (PubChem CID 25128745) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
PubChem CID25128745
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
SMILESC=CC[C@H](CO)OCOCCOC
InChIInChI=1S/C9H18O4/c1-3-4-9(7-10)13-8-12-6-5-11-2/h3,9-10H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyANPXCIONZZNVDW-SECBINFHSA-N
XLogP0.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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 (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol?
The IUPAC name of (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol (CID 25128745) is (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol?
The canonical SMILES for (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol is C=CC[C@H](CO)OCOCCOC.
What is the InChIKey of (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol?
The InChIKey is ANPXCIONZZNVDW-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-4-9(7-10)13-8-12-6-5-11-2/h3,9-10H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol?
(2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyethoxymethoxy)pent-4-en-1-ol is sourced from PubChem (CID 25128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).