5-hex-5-en-2-yloxyhex-1-ene

C12H22O — CID 57295639

IUPAC5-hex-5-en-2-yloxyhex-1-ene
SMILESC=CCCC(C)OC(C)CCC=C
InChIInChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyPLTZYJPDBFTNEU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.71
Rot. Bonds8

About 5-hex-5-en-2-yloxyhex-1-ene

5-hex-5-en-2-yloxyhex-1-ene (PubChem CID 57295639) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-hex-5-en-2-yloxyhex-1-ene.

Molecular Properties

Compound Name5-hex-5-en-2-yloxyhex-1-ene
PubChem CID57295639
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-hex-5-en-2-yloxyhex-1-ene
SMILESC=CCCC(C)OC(C)CCC=C
InChIInChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyPLTZYJPDBFTNEU-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-hex-5-en-2-yloxyhex-1-ene?
The IUPAC name of 5-hex-5-en-2-yloxyhex-1-ene (CID 57295639) is 5-hex-5-en-2-yloxyhex-1-ene.
What is the SMILES notation for 5-hex-5-en-2-yloxyhex-1-ene?
The canonical SMILES for 5-hex-5-en-2-yloxyhex-1-ene is C=CCCC(C)OC(C)CCC=C.
What is the InChIKey of 5-hex-5-en-2-yloxyhex-1-ene?
The InChIKey is PLTZYJPDBFTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-9-11(3)13-12(4)10-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 5-hex-5-en-2-yloxyhex-1-ene?
5-hex-5-en-2-yloxyhex-1-ene has a molecular weight of 182.31 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-5-en-2-yloxyhex-1-ene is sourced from PubChem (CID 57295639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).