(2R,4R)-4-methyl-2-octyl-1,3-dioxolane

C12H24O2 — CID 76956297

IUPAC(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
SMILESCCCCCCCC[C@@H]1OC[C@@H](C)O1
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyAGNUIQKIUPCFET-VXGBXAGGSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds7

About (2R,4R)-4-methyl-2-octyl-1,3-dioxolane

(2R,4R)-4-methyl-2-octyl-1,3-dioxolane (PubChem CID 76956297) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-octyl-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
PubChem CID76956297
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
SMILESCCCCCCCC[C@@H]1OC[C@@H](C)O1
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyAGNUIQKIUPCFET-VXGBXAGGSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
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

(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
2-pentadecyl-4-propan-2-yl-1,3-dioxolane
CID 575374
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-octyl-1,3-dioxolane?
The IUPAC name of (2R,4R)-4-methyl-2-octyl-1,3-dioxolane (CID 76956297) is (2R,4R)-4-methyl-2-octyl-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-4-methyl-2-octyl-1,3-dioxolane?
The canonical SMILES for (2R,4R)-4-methyl-2-octyl-1,3-dioxolane is CCCCCCCC[C@@H]1OC[C@@H](C)O1.
What is the InChIKey of (2R,4R)-4-methyl-2-octyl-1,3-dioxolane?
The InChIKey is AGNUIQKIUPCFET-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-octyl-1,3-dioxolane?
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-octyl-1,3-dioxolane is sourced from PubChem (CID 76956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).