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

C22H40O2 — CID 150173823

IUPAC2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane
SMILESC=CC1OCCOC1(C=C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(6-3)21(5-2)23-19-20-24-22/h5-6,21H,2-4,7-20H2,1H3
InChIKeyFJZJHAAVPYDBCY-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.60
Rot. Bonds15

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

2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane (PubChem CID 150173823) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane
PubChem CID150173823
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane
SMILESC=CC1OCCOC1(C=C)CCCCCCCCCCCCCC
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(6-3)21(5-2)23-19-20-24-22/h5-6,21H,2-4,7-20H2,1H3
InChIKeyFJZJHAAVPYDBCY-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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Related Compounds

7-[Difluoro(3-fluoropropoxy)methyl]-7-hex-1-en-2-yloxy-8-methylidenedodec-1-ene
CID 122631416
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CID 15361421
(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
CID 11394482
6-Ethyl-5-isopropenyl-2-methyl-2-vinyltetrahydropyran
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3-Ethoxy-3-(prop-2-enoxymethyl)hexadecane
CID 87295918
3-Methoxy-3-(prop-2-enoxymethyl)hexadecane
CID 87296349
5-Propyl-3-(5-propyldec-1-en-3-yloxy)dec-1-ene
CID 88325679
3-Ethoxy-8-hept-6-enoxy-7-methylnon-1-ene
CID 90710615
(3R,4R,5R)-5-ethenyl-7,7-dimethyl-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]-1,6-dioxaspiro[2.5]octane
CID 118478078
2-But-3-enyl-6-butyl-3,5-dimethyl-4-prop-2-enoxyoxane
CID 137471472
4-Ethyl-3-(4-ethyldec-1-en-3-yloxy)dec-1-ene
CID 141127853
2-Ethenyl-2-ethyl-6-methyloxane
CID 145507167

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane?
The IUPAC name of 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane (CID 150173823) is 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane.
What is the SMILES notation for 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane?
The canonical SMILES for 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane is C=CC1OCCOC1(C=C)CCCCCCCCCCCCCC.
What is the InChIKey of 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane?
The InChIKey is FJZJHAAVPYDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22(6-3)21(5-2)23-19-20-24-22/h5-6,21H,2-4,7-20H2,1H3.
What are the key properties of 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane?
2,3-bis(ethenyl)-2-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 2,3-bis(ethenyl)-2-tetradecyl-1,4-dioxane is sourced from PubChem (CID 150173823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).