(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol

C11H22O3 — CID 10397949

IUPAC(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
SMILESCCCCCC[C@H]1C[C@H](O)O[C@@H](C)O1
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-10-8-11(12)14-9(2)13-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyBBEFOZPVNFBRPK-GARJFASQSA-N
MW202.29 g/mol
LogP2.43
Rot. Bonds5

About (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol

(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol (PubChem CID 10397949) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
PubChem CID10397949
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
SMILESCCCCCC[C@H]1C[C@H](O)O[C@@H](C)O1
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-10-8-11(12)14-9(2)13-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyBBEFOZPVNFBRPK-GARJFASQSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol 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-heptyl-4-methyloxetane
CID 174470649
5-hexyl-4-methyloxolan-2-ol
CID 14120381
(2S,4S,6R)-4-chloro-2-hexyl-6-methyloxane
CID 15865907
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-methyl-5-octadecyloxolane
CID 167511066
2-(5,5-dimethylhexyl)-4,6-diheptyl-1,3-dioxane
CID 122644760
2-(hydroxymethyl)-6-pentyloxane-3,4-diol
CID 91192531
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol?
The IUPAC name of (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol (CID 10397949) is (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol?
The canonical SMILES for (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol is CCCCCC[C@H]1C[C@H](O)O[C@@H](C)O1.
What is the InChIKey of (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol?
The InChIKey is BBEFOZPVNFBRPK-GARJFASQSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-10-8-11(12)14-9(2)13-10/h9-12H,3-8H2,1-2H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol?
(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol has a molecular weight of 202.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol is sourced from PubChem (CID 10397949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).