3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol

C20H36O4 — CID 166943969

IUPAC3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol
SMILESC=C(OCC1OCCC(O)C1OC(=C)C(CC)CC)C(CC)CC
InChIInChI=1S/C20H36O4/c1-7-16(8-2)14(5)23-13-19-20(18(21)11-12-22-19)24-15(6)17(9-3)10-4/h16-21H,5-13H2,1-4H3
InChIKeyVJIKGJXVMDICKG-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.44
Rot. Bonds11

About 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol

3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol (PubChem CID 166943969) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol
PubChem CID166943969
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol
SMILESC=C(OCC1OCCC(O)C1OC(=C)C(CC)CC)C(CC)CC
InChIInChI=1S/C20H36O4/c1-7-16(8-2)14(5)23-13-19-20(18(21)11-12-22-19)24-15(6)17(9-3)10-4/h16-21H,5-13H2,1-4H3
InChIKeyVJIKGJXVMDICKG-UHFFFAOYSA-N
XLogP4.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol?
The IUPAC name of 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol (CID 166943969) is 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol.
What is the SMILES notation for 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol?
The canonical SMILES for 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol is C=C(OCC1OCCC(O)C1OC(=C)C(CC)CC)C(CC)CC.
What is the InChIKey of 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol?
The InChIKey is VJIKGJXVMDICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-7-16(8-2)14(5)23-13-19-20(18(21)11-12-22-19)24-15(6)17(9-3)10-4/h16-21H,5-13H2,1-4H3.
What are the key properties of 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol?
3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol has a molecular weight of 340.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol is sourced from PubChem (CID 166943969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).