n-Dodecyl nonaoxyethylene

C23H46O — CID 129694971

IUPAC2-nonoxytetradec-1-ene
SMILESCCCCCCCCCCCCC(=C)OCCCCCCCCC
InChIInChI=1S/C23H46O/c1-4-6-8-10-12-13-14-15-17-19-21-23(3)24-22-20-18-16-11-9-7-5-2/h3-22H2,1-2H3
InChIKeyYHGIKDGPTHMIDI-UHFFFAOYSA-N
MW338.60 g/mol
LogP10.80
Rot. Bonds20

About n-Dodecyl nonaoxyethylene

n-Dodecyl nonaoxyethylene (PubChem CID 129694971) has the molecular formula C23H46O and a molecular weight of 338.60 g/mol. Its IUPAC name is 2-nonoxytetradec-1-ene.

Molecular Properties

Compound Namen-Dodecyl nonaoxyethylene
PubChem CID129694971
Molecular FormulaC23H46O
Molecular Weight338.60 g/mol
Exact Mass338.35
IUPAC Name2-nonoxytetradec-1-ene
SMILESCCCCCCCCCCCCC(=C)OCCCCCCCCC
InChIInChI=1S/C23H46O/c1-4-6-8-10-12-13-14-15-17-19-21-23(3)24-22-20-18-16-11-9-7-5-2/h3-22H2,1-2H3
InChIKeyYHGIKDGPTHMIDI-UHFFFAOYSA-N
XLogP10.80
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity246

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.60
LogP ≤ 510.80
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 n-Dodecyl nonaoxyethylene?
The IUPAC name of n-Dodecyl nonaoxyethylene (CID 129694971) is 2-nonoxytetradec-1-ene.
What is the SMILES notation for n-Dodecyl nonaoxyethylene?
The canonical SMILES for n-Dodecyl nonaoxyethylene is CCCCCCCCCCCCC(=C)OCCCCCCCCC.
What is the InChIKey of n-Dodecyl nonaoxyethylene?
The InChIKey is YHGIKDGPTHMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-4-6-8-10-12-13-14-15-17-19-21-23(3)24-22-20-18-16-11-9-7-5-2/h3-22H2,1-2H3.
What are the key properties of n-Dodecyl nonaoxyethylene?
n-Dodecyl nonaoxyethylene has a molecular weight of 338.60 g/mol, XLogP of 10.80, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for n-Dodecyl nonaoxyethylene is sourced from PubChem (CID 129694971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).