2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane

C18H36O2 — CID 90238889

IUPAC2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)CCCC(C)CCCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H36O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h15-16H,7-14H2,1-6H3
InChIKeyRKRMEYGGSCPEMK-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.41
Rot. Bonds8

About 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane

2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane (PubChem CID 90238889) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane
PubChem CID90238889
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)CCCC(C)CCCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H36O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h15-16H,7-14H2,1-6H3
InChIKeyRKRMEYGGSCPEMK-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8,12-dimethyl-4-propan-2-yltridecyl)-2,5,5-trimethyl-1,3-dioxane
CID 135266796
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
ethane;2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane
CID 144504372
(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 14609990
2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
CID 90239347
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane;2-[(Z)-4,8-dimethylnon-3-enyl]-2,5,5-trimethyl-1,3-dioxane
CID 139326839
[3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
CID 59079086
2,5,5-trimethyl-2-pent-4-enyl-1,3-dioxane
CID 55275489
(3R)-3,5,7,8-tetramethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,4-dihydroisochromen-6-ol
CID 171350398
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
CID 567139
2,5,9,13-tetramethyltetradecane
CID 58292409
2,5,5-trimethyl-2-(2-methylbutyl)-1,3-dioxane
CID 129172366

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane (CID 90238889) is 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane is CC(C)CCCC(C)CCCC1(C)OCC(C)(C)CO1.
What is the InChIKey of 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is RKRMEYGGSCPEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h15-16H,7-14H2,1-6H3.
What are the key properties of 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane?
2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 284.48 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 90238889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).