2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane

C22H40O2 — CID 150913218

IUPAC2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane
SMILESC=CC1(C=C)OCCOC1CCCCCCCCCCCCCC
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5-2,6-3)24-20-19-23-21/h5-6,21H,2-4,7-20H2,1H3
InChIKeyLCKZPZRFTXIINI-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.60
Rot. Bonds15

About 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane

2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane (PubChem CID 150913218) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane.

Molecular Properties

Compound Name2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane
PubChem CID150913218
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane
SMILESC=CC1(C=C)OCCOC1CCCCCCCCCCCCCC
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5-2,6-3)24-20-19-23-21/h5-6,21H,2-4,7-20H2,1H3
InChIKeyLCKZPZRFTXIINI-UHFFFAOYSA-N
XLogP6.60
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 ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane?
The IUPAC name of 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane (CID 150913218) is 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane.
What is the SMILES notation for 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane?
The canonical SMILES for 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane is C=CC1(C=C)OCCOC1CCCCCCCCCCCCCC.
What is the InChIKey of 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane?
The InChIKey is LCKZPZRFTXIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-22(5-2,6-3)24-20-19-23-21/h5-6,21H,2-4,7-20H2,1H3.
What are the key properties of 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane?
2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane has a molecular weight of 336.56 g/mol, XLogP of 6.60, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)-3-tetradecyl-1,4-dioxane is sourced from PubChem (CID 150913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).