(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane

C15H30O2 — CID 98092863

IUPAC(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
SMILESCCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-5-6-7-8-9-10-11-14-16-13(2)12-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyGYOVKTWOJRRTOL-UONOGXRCSA-N
MW242.40 g/mol
LogP4.67
Rot. Bonds7

About (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane

(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane (PubChem CID 98092863) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
PubChem CID98092863
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane
SMILESCCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-5-6-7-8-9-10-11-14-16-13(2)12-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyGYOVKTWOJRRTOL-UONOGXRCSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-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

2-butyl-4,4,6-trimethyl-1,3-dioxane;2-hexylcyclopentan-1-one
CID 69239152
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
(4S,5R)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963947
(4S,5S)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963946
6-methyl-2-octyl-1,3-dioxan-4-one
CID 549723
2-butyl-4,6-dimethyl-1,3-dioxane
CID 13357259
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
2-heptyl-4-methyloxetane
CID 174470649
3,6-diheptyl-1,2,4,5-tetraoxane
CID 10708512

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane?
The IUPAC name of (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane (CID 98092863) is (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane.
What is the SMILES notation for (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane?
The canonical SMILES for (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane is CCCCCCCC[C@@H]1O[C@@H](C)CC(C)(C)O1.
What is the InChIKey of (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane?
The InChIKey is GYOVKTWOJRRTOL-UONOGXRCSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-6-7-8-9-10-11-14-16-13(2)12-15(3,4)17-14/h13-14H,5-12H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane?
(2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane has a molecular weight of 242.40 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,4,6-trimethyl-2-octyl-1,3-dioxane is sourced from PubChem (CID 98092863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).