2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane

C16H26O2 — CID 11118498

IUPAC2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
SMILESC1=C\CC(CCCOC2CCCCO2)/C=C\CC/1
InChIInChI=1S/C16H26O2/c1-2-4-9-15(10-5-3-1)11-8-14-18-16-12-6-7-13-17-16/h2,4-5,10,15-16H,1,3,6-9,11-14H2/b4-2-,10-5-
InChIKeyDTSOOORYWCIASP-DYYLMRJSSA-N
MW250.38 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane

2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane (PubChem CID 11118498) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane.

Molecular Properties

Compound Name2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
PubChem CID11118498
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
SMILESC1=C\CC(CCCOC2CCCCO2)/C=C\CC/1
InChIInChI=1S/C16H26O2/c1-2-4-9-15(10-5-3-1)11-8-14-18-16-12-6-7-13-17-16/h2,4-5,10,15-16H,1,3,6-9,11-14H2/b4-2-,10-5-
InChIKeyDTSOOORYWCIASP-DYYLMRJSSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.22
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-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane?
The IUPAC name of 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane (CID 11118498) is 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane.
What is the SMILES notation for 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane?
The canonical SMILES for 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane is C1=C\CC(CCCOC2CCCCO2)/C=C\CC/1.
What is the InChIKey of 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane?
The InChIKey is DTSOOORYWCIASP-DYYLMRJSSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-4-9-15(10-5-3-1)11-8-14-18-16-12-6-7-13-17-16/h2,4-5,10,15-16H,1,3,6-9,11-14H2/b4-2-,10-5-.
What are the key properties of 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane?
2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane has a molecular weight of 250.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane is sourced from PubChem (CID 11118498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).