(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol

C12H24O4 — CID 23257955

IUPAC(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
SMILESC=C[C@H](CO)[C@H](OCOCCOC)C(C)C
InChIInChI=1S/C12H24O4/c1-5-11(8-13)12(10(2)3)16-9-15-7-6-14-4/h5,10-13H,1,6-9H2,2-4H3/t11-,12-/m1/s1
InChIKeyWVNAMNCZVQTHFV-VXGBXAGGSA-N
MW232.32 g/mol
LogP1.44
Rot. Bonds10

About (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol

(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol (PubChem CID 23257955) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
PubChem CID23257955
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
SMILESC=C[C@H](CO)[C@H](OCOCCOC)C(C)C
InChIInChI=1S/C12H24O4/c1-5-11(8-13)12(10(2)3)16-9-15-7-6-14-4/h5,10-13H,1,6-9H2,2-4H3/t11-,12-/m1/s1
InChIKeyWVNAMNCZVQTHFV-VXGBXAGGSA-N
XLogP1.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.44
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,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol?
The IUPAC name of (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol (CID 23257955) is (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol.
What is the SMILES notation for (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol?
The canonical SMILES for (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol is C=C[C@H](CO)[C@H](OCOCCOC)C(C)C.
What is the InChIKey of (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol?
The InChIKey is WVNAMNCZVQTHFV-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-11(8-13)12(10(2)3)16-9-15-7-6-14-4/h5,10-13H,1,6-9H2,2-4H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol?
(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 23257955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).