2-hex-3-enoxyhex-3-en-1-ol

C12H22O2 — CID 173395811

IUPAC2-hex-3-enoxyhex-3-en-1-ol
SMILESCCC=CCCOC(C=CCC)CO
InChIInChI=1S/C12H22O2/c1-3-5-7-8-10-14-12(11-13)9-6-4-2/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3
InChIKeyYKKFAKRIJZPSHS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds8

About 2-hex-3-enoxyhex-3-en-1-ol

2-hex-3-enoxyhex-3-en-1-ol (PubChem CID 173395811) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-hex-3-enoxyhex-3-en-1-ol.

Molecular Properties

Compound Name2-hex-3-enoxyhex-3-en-1-ol
PubChem CID173395811
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-hex-3-enoxyhex-3-en-1-ol
SMILESCCC=CCCOC(C=CCC)CO
InChIInChI=1S/C12H22O2/c1-3-5-7-8-10-14-12(11-13)9-6-4-2/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3
InChIKeyYKKFAKRIJZPSHS-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-3-enoxyhex-3-en-1-ol?
The IUPAC name of 2-hex-3-enoxyhex-3-en-1-ol (CID 173395811) is 2-hex-3-enoxyhex-3-en-1-ol.
What is the SMILES notation for 2-hex-3-enoxyhex-3-en-1-ol?
The canonical SMILES for 2-hex-3-enoxyhex-3-en-1-ol is CCC=CCCOC(C=CCC)CO.
What is the InChIKey of 2-hex-3-enoxyhex-3-en-1-ol?
The InChIKey is YKKFAKRIJZPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-7-8-10-14-12(11-13)9-6-4-2/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3.
What are the key properties of 2-hex-3-enoxyhex-3-en-1-ol?
2-hex-3-enoxyhex-3-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-3-enoxyhex-3-en-1-ol is sourced from PubChem (CID 173395811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).