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
SMILESC1=C\CC(CCCCCCOC2CCCCO2)/C=C\CC/1
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
MW292.46 g/mol
LogP5.39
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 292.46 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 Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
SMILESC1=C\CC(CCCCCCOC2CCCCO2)/C=C\CC/1
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
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.39
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'}

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

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Related Compounds

Isotridecane, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy)]bis-
CID 106157
2H-Pyran, tetrahydro-2-[(9E)-9-tetradecen-1-yloxy]-
CID 6437003
2H-Pyran, 2-[(8E)-8-dodecenyloxy]tetrahydro-
CID 6437906
1-Undecene, 11,11-bis((3,7-dimethyl-6-octenyl)oxy)-
CID 105589
2-[(9E)-9-Dodecen-1-yloxy]tetrahydro-2H-pyran
CID 14159698
2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane
CID 11108235
2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
CID 11118498
2-[(4R)-4-methylundec-10-enoxy]oxane
CID 56653144
2H-Pyran, tetrahydro-2-(9-tetradecen-1-yloxy)-
CID 103547
2H-Pyran, tetrahydro-2-((11E)-11-tetradecen-1-yloxy)-
CID 6436684
8-Hexadecene, 1,1-diethoxy-14-methyl-, (8Z)-
CID 20841393
8-Hexadecene, 1,1-dimethoxy-14-methyl-, (8Z)-
CID 21770566

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 C1=C\CC(CCCCCCOC2CCCCO2)/C=C\CC/1.
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 292.46 g/mol, XLogP of 5.39, 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).