(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane

C12H24O2 — CID 121011930

IUPAC(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane
SMILESCCCCCC[C@@H]1CO[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-12-9-13-10(2)11(3)14-12/h10-12H,4-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyMINIMUZAYBFQJL-IJLUTSLNSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds5

About (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane

(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane (PubChem CID 121011930) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane
PubChem CID121011930
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane
SMILESCCCCCC[C@@H]1CO[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-12-9-13-10(2)11(3)14-12/h10-12H,4-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyMINIMUZAYBFQJL-IJLUTSLNSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 17163
((Nonyloxy)methyl)oxirane
CID 99953
Glycidyl n-octyl ether
CID 92955
Octahydro-2,2'-BI-2H-pyran
CID 559139
Cyclododecane, (2-methoxyethoxy)-
CID 174103
2-Propyltetrahydropyran
CID 138066
1-Butoxy-2-octyloxy-ethane
CID 53428093
Crown ether/decyl-18-crown-6
CID 2773915
(R)-(+)-Glycidyl undecyl ether
CID 22831446
1-(2-Methoxyethoxy)octane
CID 11137890
1-(Ethoxyethoxy)octane
CID 22002897
(2R)-2-[4-[(2R)-1,4-dioxan-2-yl]butyl]-1,4-dioxane
CID 44429364

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane (CID 121011930) is (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane is CCCCCC[C@@H]1CO[C@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane?
The InChIKey is MINIMUZAYBFQJL-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-6-7-8-12-9-13-10(2)11(3)14-12/h10-12H,4-9H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane?
(2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-hexyl-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 121011930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).