2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane

C16H24O2 — CID 14333977

IUPAC2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane
SMILESC=C/C=C\C/C=C\C/C=C\COC1CCCCO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h2-4,6-7,9,11,16H,1,5,8,10,12-15H2/b4-3-,7-6-,11-9-
InChIKeySNWVITLFHMXTNK-YMQSRQFKSA-N
MW248.37 g/mol
LogP4.16
Rot. Bonds8

About 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane

2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane (PubChem CID 14333977) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane.

Molecular Properties

Compound Name2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane
PubChem CID14333977
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane
SMILESC=C/C=C\C/C=C\C/C=C\COC1CCCCO1
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h2-4,6-7,9,11,16H,1,5,8,10,12-15H2/b4-3-,7-6-,11-9-
InChIKeySNWVITLFHMXTNK-YMQSRQFKSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane?
The IUPAC name of 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane (CID 14333977) is 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane.
What is the SMILES notation for 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane?
The canonical SMILES for 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane is C=C/C=C\C/C=C\C/C=C\COC1CCCCO1.
What is the InChIKey of 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane?
The InChIKey is SNWVITLFHMXTNK-YMQSRQFKSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h2-4,6-7,9,11,16H,1,5,8,10,12-15H2/b4-3-,7-6-,11-9-.
What are the key properties of 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane?
2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane has a molecular weight of 248.37 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5Z,8Z)-undeca-2,5,8,10-tetraenoxy]oxane is sourced from PubChem (CID 14333977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).