2-octoxytetradec-1-ene

C22H44O — CID 22145312

IUPAC2-octoxytetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C22H44O/c1-4-6-8-10-12-13-14-15-16-18-20-22(3)23-21-19-17-11-9-7-5-2/h3-21H2,1-2H3
InChIKeyJJRFWHQTWLNONQ-UHFFFAOYSA-N
MW324.59 g/mol
LogP8.19
Rot. Bonds19

About 2-octoxytetradec-1-ene

2-octoxytetradec-1-ene (PubChem CID 22145312) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 2-octoxytetradec-1-ene.

Molecular Properties

Compound Name2-octoxytetradec-1-ene
PubChem CID22145312
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name2-octoxytetradec-1-ene
SMILESC=C(CCCCCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C22H44O/c1-4-6-8-10-12-13-14-15-16-18-20-22(3)23-21-19-17-11-9-7-5-2/h3-21H2,1-2H3
InChIKeyJJRFWHQTWLNONQ-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octoxytetradec-1-ene?
The IUPAC name of 2-octoxytetradec-1-ene (CID 22145312) is 2-octoxytetradec-1-ene.
What is the SMILES notation for 2-octoxytetradec-1-ene?
The canonical SMILES for 2-octoxytetradec-1-ene is C=C(CCCCCCCCCCCC)OCCCCCCCC.
What is the InChIKey of 2-octoxytetradec-1-ene?
The InChIKey is JJRFWHQTWLNONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-4-6-8-10-12-13-14-15-16-18-20-22(3)23-21-19-17-11-9-7-5-2/h3-21H2,1-2H3.
What are the key properties of 2-octoxytetradec-1-ene?
2-octoxytetradec-1-ene has a molecular weight of 324.59 g/mol, XLogP of 8.19, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxytetradec-1-ene is sourced from PubChem (CID 22145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).