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

C19H32O2 — CID 11822465

IUPAC2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
SMILESC1CCOC(C1)OCCCCCCC/2C/C=C\CC/C=C2
InChIInChI=1S/C19H32O2/c1-2-6-12-18(13-7-3-1)14-8-4-5-10-16-20-19-15-9-11-17-21-19/h2,6-7,13,18-19H,1,3-5,8-12,14-17H2/b6-2-,13-7-
InChIKeyIPMGTUAUSDRTEY-NAGSDWBGSA-N
MW292.50 g/mol
LogP5.60
Rot. Bonds8

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

2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane (PubChem CID 11822465) has the molecular formula C19H32O2 and a molecular weight of 292.50 g/mol. Its IUPAC name is 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane.

Molecular Properties

Compound Name2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
PubChem CID11822465
Molecular FormulaC19H32O2
Molecular Weight292.50 g/mol
Exact Mass292.24
IUPAC Name2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
SMILESC1CCOC(C1)OCCCCCCC/2C/C=C\CC/C=C2
InChIInChI=1S/C19H32O2/c1-2-6-12-18(13-7-3-1)14-8-4-5-10-16-20-19-15-9-11-17-21-19/h2,6-7,13,18-19H,1,3-5,8-12,14-17H2/b6-2-,13-7-
InChIKeyIPMGTUAUSDRTEY-NAGSDWBGSA-N
XLogP5.60
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity309

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 55.60
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-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane?
The IUPAC name of 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane (CID 11822465) is 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane.
What is the SMILES notation for 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane?
The canonical SMILES for 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane is C1CCOC(C1)OCCCCCCC/2C/C=C\CC/C=C2.
What is the InChIKey of 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane?
The InChIKey is IPMGTUAUSDRTEY-NAGSDWBGSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-6-12-18(13-7-3-1)14-8-4-5-10-16-20-19-15-9-11-17-21-19/h2,6-7,13,18-19H,1,3-5,8-12,14-17H2/b6-2-,13-7-.
What are the key properties of 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane?
2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane has a molecular weight of 292.50 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane is sourced from PubChem (CID 11822465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).