2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane

C20H28O2 — CID 100998297

IUPAC2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane
SMILESCCCCCC#C/C=C\C#C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)16-18-22-20-15-12-13-17-21-20/h9-10,16,20H,3-6,12-13,15,17-18H2,1-2H3/b10-9-,19-16+
InChIKeyDDTDWZKZAOTHAA-AHSMHQSJSA-N
MW300.44 g/mol
LogP4.62
Rot. Bonds6

About 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane

2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane (PubChem CID 100998297) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane.

Molecular Properties

Compound Name2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane
PubChem CID100998297
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane
SMILESCCCCCC#C/C=C\C#C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)16-18-22-20-15-12-13-17-21-20/h9-10,16,20H,3-6,12-13,15,17-18H2,1-2H3/b10-9-,19-16+
InChIKeyDDTDWZKZAOTHAA-AHSMHQSJSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane?
The IUPAC name of 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane (CID 100998297) is 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane.
What is the SMILES notation for 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane?
The canonical SMILES for 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane is CCCCCC#C/C=C\C#C/C(C)=C/COC1CCCCO1.
What is the InChIKey of 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane?
The InChIKey is DDTDWZKZAOTHAA-AHSMHQSJSA-N. The full InChI is InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)16-18-22-20-15-12-13-17-21-20/h9-10,16,20H,3-6,12-13,15,17-18H2,1-2H3/b10-9-,19-16+.
What are the key properties of 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane?
2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane has a molecular weight of 300.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane is sourced from PubChem (CID 100998297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).