3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol

C12H22O3 — CID 57285634

IUPAC3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol
SMILESCC=CC(OC(C=CC)C(C)O)C(C)O
InChIInChI=1S/C12H22O3/c1-5-7-11(9(3)13)15-12(8-6-2)10(4)14/h5-14H,1-4H3
InChIKeyYSURSBOAUKUFPJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.65
Rot. Bonds6

About 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol

3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol (PubChem CID 57285634) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol.

Molecular Properties

Compound Name3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol
PubChem CID57285634
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol
SMILESCC=CC(OC(C=CC)C(C)O)C(C)O
InChIInChI=1S/C12H22O3/c1-5-7-11(9(3)13)15-12(8-6-2)10(4)14/h5-14H,1-4H3
InChIKeyYSURSBOAUKUFPJ-UHFFFAOYSA-N
XLogP1.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol?
The IUPAC name of 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol (CID 57285634) is 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol.
What is the SMILES notation for 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol?
The canonical SMILES for 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol is CC=CC(OC(C=CC)C(C)O)C(C)O.
What is the InChIKey of 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol?
The InChIKey is YSURSBOAUKUFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-7-11(9(3)13)15-12(8-6-2)10(4)14/h5-14H,1-4H3.
What are the key properties of 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol?
3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol has a molecular weight of 214.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol is sourced from PubChem (CID 57285634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).