4,4-bis(ethenoxymethyl)hexadecane

C22H42O2 — CID 126727088

IUPAC4,4-bis(ethenoxymethyl)hexadecane
SMILESC=COCC(CCC)(CCCCCCCCCCCC)COC=C
InChIInChI=1S/C22H42O2/c1-5-9-10-11-12-13-14-15-16-17-19-22(18-6-2,20-23-7-3)21-24-8-4/h7-8H,3-6,9-21H2,1-2H3
InChIKeyFBYQDJAVZNAAPM-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.40
Rot. Bonds19

About 4,4-bis(ethenoxymethyl)hexadecane

4,4-bis(ethenoxymethyl)hexadecane (PubChem CID 126727088) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 4,4-bis(ethenoxymethyl)hexadecane.

Molecular Properties

Compound Name4,4-bis(ethenoxymethyl)hexadecane
PubChem CID126727088
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name4,4-bis(ethenoxymethyl)hexadecane
SMILESC=COCC(CCC)(CCCCCCCCCCCC)COC=C
InChIInChI=1S/C22H42O2/c1-5-9-10-11-12-13-14-15-16-17-19-22(18-6-2,20-23-7-3)21-24-8-4/h7-8H,3-6,9-21H2,1-2H3
InChIKeyFBYQDJAVZNAAPM-UHFFFAOYSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

3,3-bis(ethenoxymethyl)tetradecane
CID 134531183
4,4-bis(ethenoxymethyl)-2-methyltridecane
CID 126727076
1-ethenoxy-2,2-dimethyldecane
CID 19077777
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
1-ethenoxytriacontane
CID 14647805
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871
10,10-dibutylicosane
CID 151498539
4,4-bis(bromomethyl)undecane
CID 79453128

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenoxymethyl)hexadecane?
The IUPAC name of 4,4-bis(ethenoxymethyl)hexadecane (CID 126727088) is 4,4-bis(ethenoxymethyl)hexadecane.
What is the SMILES notation for 4,4-bis(ethenoxymethyl)hexadecane?
The canonical SMILES for 4,4-bis(ethenoxymethyl)hexadecane is C=COCC(CCC)(CCCCCCCCCCCC)COC=C.
What is the InChIKey of 4,4-bis(ethenoxymethyl)hexadecane?
The InChIKey is FBYQDJAVZNAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-5-9-10-11-12-13-14-15-16-17-19-22(18-6-2,20-23-7-3)21-24-8-4/h7-8H,3-6,9-21H2,1-2H3.
What are the key properties of 4,4-bis(ethenoxymethyl)hexadecane?
4,4-bis(ethenoxymethyl)hexadecane has a molecular weight of 338.58 g/mol, XLogP of 7.40, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenoxymethyl)hexadecane is sourced from PubChem (CID 126727088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).