(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane

C12H24O3 — CID 164538174

IUPAC(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane
SMILESCCCO[C@H]1C[C@@H](OC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H24O3/c1-5-6-13-11-7-10(4)15-12(8-11)14-9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyQNRQWCRKCHNZRI-TUAOUCFPSA-N
MW216.32 g/mol
LogP2.73
Rot. Bonds5

About (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane

(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane (PubChem CID 164538174) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane.

Molecular Properties

Compound Name(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane
PubChem CID164538174
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane
SMILESCCCO[C@H]1C[C@@H](OC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H24O3/c1-5-6-13-11-7-10(4)15-12(8-11)14-9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyQNRQWCRKCHNZRI-TUAOUCFPSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetaldehyde 1,3-octanediol acetal
CID 11105826
Hexanal octane-1,3-diol acetal
CID 526993
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 12900878
alpha-D-Galactopyranoside, methyl 2,3,4,6-tetra-O-methyl-
CID 12900879
1,1,3,5-Tetramethoxyhexane
CID 33150
1,3-Dioxane, 2-pentyl-
CID 79745
1,3-Dioxane, 2-hexyl-4-methyl-
CID 95401
2-Isopropoxytetrahydropyran
CID 263170
methyl 2,3,4,6-tetra-O-methyl-alpha-D-glucopyranoside
CID 95143
Methyl 2,3,4,6-tetra-O-methyl-alpha-D-mannopyranoside
CID 102374
2H-Pyran, 2-(hexyloxy)tetrahydro-
CID 102718
1,1,3-Triethoxyhexane
CID 7554

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane?
The IUPAC name of (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane (CID 164538174) is (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane.
What is the SMILES notation for (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane?
The canonical SMILES for (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane is CCCO[C@H]1C[C@@H](OC(C)C)O[C@@H](C)C1.
What is the InChIKey of (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane?
The InChIKey is QNRQWCRKCHNZRI-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-6-13-11-7-10(4)15-12(8-11)14-9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane?
(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane has a molecular weight of 216.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane is sourced from PubChem (CID 164538174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).