2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

C28H52O2 — CID 151764227

IUPAC2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCCCC=C
InChIInChI=1S/C28H52O2/c1-7-9-11-13-15-17-19-21-23-27(5)28(6,30-26(4)25(3)29-27)24-22-20-18-16-14-12-10-8-2/h7-8,25-26H,1-2,9-24H2,3-6H3
InChIKeyRRFHIMQVVOKZEL-UHFFFAOYSA-N
MW420.72 g/mol
LogP8.94
Rot. Bonds18

About 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (PubChem CID 151764227) has the molecular formula C28H52O2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
PubChem CID151764227
Molecular FormulaC28H52O2
Molecular Weight420.72 g/mol
Exact Mass420.40
IUPAC Name2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCCCC=C
InChIInChI=1S/C28H52O2/c1-7-9-11-13-15-17-19-21-23-27(5)28(6,30-26(4)25(3)29-27)24-22-20-18-16-14-12-10-8-2/h7-8,25-26H,1-2,9-24H2,3-6H3
InChIKeyRRFHIMQVVOKZEL-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 58.94
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'}

Analyze 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thromboxene
CID 57129285
2,3-dimethyl-2-(2-methylpent-4-enyl)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydro-3H-cyclododeca[b]furan
CID 20430925
(8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene
CID 22808191
2-ethyl-4-methyl-3-(3,4,5,6-tetramethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
CID 68215176
2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
CID 71082384
(3S)-4-[(4S,7S,8S)-8-methoxy-7-methylundec-1-en-4-yl]-1,7-dioxaspiro[2.5]octane
CID 88352429
(3S)-4-[(4S,7S,8S)-8-ethoxy-7-methylnon-1-en-4-yl]-1,7-dioxaspiro[2.5]octane
CID 88352463
(3S)-4-[(4S,7R,8S)-7-butoxy-8-methoxynon-1-en-4-yl]-1,7-dioxaspiro[2.5]octane
CID 88352604
6-(2-Ethoxyethoxy)hept-1-en-3-ylcyclohexane
CID 88978928
12-(3-Methoxybutoxy)-12-methyltridec-1-ene
CID 89045389
8-Butan-2-yloxy-8-ethyldec-1-ene
CID 91359924
2-(2-Prop-2-enyloctadecoxymethyl)oxirane
CID 139677979

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The IUPAC name of 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (CID 151764227) is 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.
What is the SMILES notation for 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The canonical SMILES for 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is C=CCCCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCCCC=C.
What is the InChIKey of 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The InChIKey is RRFHIMQVVOKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2/c1-7-9-11-13-15-17-19-21-23-27(5)28(6,30-26(4)25(3)29-27)24-22-20-18-16-14-12-10-8-2/h7-8,25-26H,1-2,9-24H2,3-6H3.
What are the key properties of 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane has a molecular weight of 420.72 g/mol, XLogP of 8.94, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dec-9-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is sourced from PubChem (CID 151764227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).