(4S,6S)-4,6-dibutyl-1,3-dioxane

C12H24O2 — CID 92860075

IUPAC(4S,6S)-4,6-dibutyl-1,3-dioxane
SMILESCCCC[C@H]1C[C@H](CCCC)OCO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(8-6-4-2)14-10-13-11/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUCPAZYFDPOUDHP-RYUDHWBXSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds6

About (4S,6S)-4,6-dibutyl-1,3-dioxane

(4S,6S)-4,6-dibutyl-1,3-dioxane (PubChem CID 92860075) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (4S,6S)-4,6-dibutyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,6S)-4,6-dibutyl-1,3-dioxane
PubChem CID92860075
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4S,6S)-4,6-dibutyl-1,3-dioxane
SMILESCCCC[C@H]1C[C@H](CCCC)OCO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(8-6-4-2)14-10-13-11/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUCPAZYFDPOUDHP-RYUDHWBXSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-butyl-4-methyloxolane
CID 15370435
2-butyloxirane;trimethylsilane
CID 174652516
(2R)-2-pentyloxirane
CID 11147691
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
4-hexadecyl-1,3-dioxane
CID 154382426
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4,6-dibutyl-1,3-dioxane?
The IUPAC name of (4S,6S)-4,6-dibutyl-1,3-dioxane (CID 92860075) is (4S,6S)-4,6-dibutyl-1,3-dioxane.
What is the SMILES notation for (4S,6S)-4,6-dibutyl-1,3-dioxane?
The canonical SMILES for (4S,6S)-4,6-dibutyl-1,3-dioxane is CCCC[C@H]1C[C@H](CCCC)OCO1.
What is the InChIKey of (4S,6S)-4,6-dibutyl-1,3-dioxane?
The InChIKey is UCPAZYFDPOUDHP-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-7-11-9-12(8-6-4-2)14-10-13-11/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (4S,6S)-4,6-dibutyl-1,3-dioxane?
(4S,6S)-4,6-dibutyl-1,3-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4,6-dibutyl-1,3-dioxane is sourced from PubChem (CID 92860075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).