2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane

C17H28O2 — CID 11108235

IUPAC2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane
SMILESC1=C\CC(CCCCOC2CCCCO2)/C=C\CC/1
InChIInChI=1S/C17H28O2/c1-2-4-10-16(11-5-3-1)12-6-8-14-18-17-13-7-9-15-19-17/h2,4-5,11,16-17H,1,3,6-10,12-15H2/b4-2-,11-5-
InChIKeyLDSZDJJDURJGKY-NLYFXTHYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds6

About 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane

2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane (PubChem CID 11108235) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane.

Molecular Properties

Compound Name2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane
PubChem CID11108235
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane
SMILESC1=C\CC(CCCCOC2CCCCO2)/C=C\CC/1
InChIInChI=1S/C17H28O2/c1-2-4-10-16(11-5-3-1)12-6-8-14-18-17-13-7-9-15-19-17/h2,4-5,11,16-17H,1,3,6-10,12-15H2/b4-2-,11-5-
InChIKeyLDSZDJJDURJGKY-NLYFXTHYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
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-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane?
The IUPAC name of 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane (CID 11108235) is 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane.
What is the SMILES notation for 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane?
The canonical SMILES for 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane is C1=C\CC(CCCCOC2CCCCO2)/C=C\CC/1.
What is the InChIKey of 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane?
The InChIKey is LDSZDJJDURJGKY-NLYFXTHYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-4-10-16(11-5-3-1)12-6-8-14-18-17-13-7-9-15-19-17/h2,4-5,11,16-17H,1,3,6-10,12-15H2/b4-2-,11-5-.
What are the key properties of 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane?
2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane has a molecular weight of 264.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane is sourced from PubChem (CID 11108235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).