2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane

C14H26O4 — CID 14406023

IUPAC2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane
SMILESC=CCCCCC1COCCOCCOCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-14-13-17-10-9-15-7-8-16-11-12-18-14/h2,14H,1,3-13H2
InChIKeyLOSHXVRXFMCMHE-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.18
Rot. Bonds5

About 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane

2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane (PubChem CID 14406023) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane
PubChem CID14406023
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane
SMILESC=CCCCCC1COCCOCCOCCO1
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-14-13-17-10-9-15-7-8-16-11-12-18-14/h2,14H,1,3-13H2
InChIKeyLOSHXVRXFMCMHE-UHFFFAOYSA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-enyl-1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane (CID 14406023) is 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane is C=CCCCCC1COCCOCCOCCO1.
What is the InChIKey of 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane?
The InChIKey is LOSHXVRXFMCMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-6-14-13-17-10-9-15-7-8-16-11-12-18-14/h2,14H,1,3-13H2.
What are the key properties of 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane?
2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane has a molecular weight of 258.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 14406023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).