2-heptadeca-2,4-dienoxyoxane

C22H40O2 — CID 56980102

IUPAC2-heptadeca-2,4-dienoxyoxane
SMILESCCCCCCCCCCCCC=CC=CCOC1CCCCO1
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h13-15,17,22H,2-12,16,18-21H2,1H3
InChIKeyVBMUHSUXYMTGKR-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.95
Rot. Bonds15

About 2-heptadeca-2,4-dienoxyoxane

2-heptadeca-2,4-dienoxyoxane (PubChem CID 56980102) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-heptadeca-2,4-dienoxyoxane.

Molecular Properties

Compound Name2-heptadeca-2,4-dienoxyoxane
PubChem CID56980102
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2-heptadeca-2,4-dienoxyoxane
SMILESCCCCCCCCCCCCC=CC=CCOC1CCCCO1
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h13-15,17,22H,2-12,16,18-21H2,1H3
InChIKeyVBMUHSUXYMTGKR-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptadeca-2,4-dienoxyoxane?
The IUPAC name of 2-heptadeca-2,4-dienoxyoxane (CID 56980102) is 2-heptadeca-2,4-dienoxyoxane.
What is the SMILES notation for 2-heptadeca-2,4-dienoxyoxane?
The canonical SMILES for 2-heptadeca-2,4-dienoxyoxane is CCCCCCCCCCCCC=CC=CCOC1CCCCO1.
What is the InChIKey of 2-heptadeca-2,4-dienoxyoxane?
The InChIKey is VBMUHSUXYMTGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h13-15,17,22H,2-12,16,18-21H2,1H3.
What are the key properties of 2-heptadeca-2,4-dienoxyoxane?
2-heptadeca-2,4-dienoxyoxane has a molecular weight of 336.56 g/mol, XLogP of 6.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadeca-2,4-dienoxyoxane is sourced from PubChem (CID 56980102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).