2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

C22H40O2 — CID 150549675

IUPAC2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCC=C
InChIInChI=1S/C22H40O2/c1-7-9-11-13-15-17-21(5)22(6,18-16-14-12-10-8-2)24-20(4)19(3)23-21/h7-8,19-20H,1-2,9-18H2,3-6H3
InChIKeyIHPLGRKNLTXUBW-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.60
Rot. Bonds12

About 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (PubChem CID 150549675) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
PubChem CID150549675
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCC=C
InChIInChI=1S/C22H40O2/c1-7-9-11-13-15-17-21(5)22(6,18-16-14-12-10-8-2)24-20(4)19(3)23-21/h7-8,19-20H,1-2,9-18H2,3-6H3
InChIKeyIHPLGRKNLTXUBW-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The IUPAC name of 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (CID 150549675) is 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.
What is the SMILES notation for 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The canonical SMILES for 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is C=CCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCC=C.
What is the InChIKey of 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The InChIKey is IHPLGRKNLTXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-7-9-11-13-15-17-21(5)22(6,18-16-14-12-10-8-2)24-20(4)19(3)23-21/h7-8,19-20H,1-2,9-18H2,3-6H3.
What are the key properties of 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane has a molecular weight of 336.56 g/mol, XLogP of 6.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hept-6-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is sourced from PubChem (CID 150549675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).