(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane

C14H28O2 — CID 102061144

IUPAC(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane
SMILESCCCCC[C@@H]1C[C@H](C(C)C)OC(C)(C)O1
InChIInChI=1S/C14H28O2/c1-6-7-8-9-12-10-13(11(2)3)16-14(4,5)15-12/h11-13H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKeyBWJKEWHJYIIGSH-CHWSQXEVSA-N
MW228.38 g/mol
LogP4.13
Rot. Bonds5

About (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane

(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane (PubChem CID 102061144) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane
PubChem CID102061144
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane
SMILESCCCCC[C@@H]1C[C@H](C(C)C)OC(C)(C)O1
InChIInChI=1S/C14H28O2/c1-6-7-8-9-12-10-13(11(2)3)16-14(4,5)15-12/h11-13H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKeyBWJKEWHJYIIGSH-CHWSQXEVSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane with MolForge

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Related Compounds

(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]methanamine
CID 58646740
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
(4S,6R)-4-ethyl-2,2-dimethyl-6-(3-methylbutyl)-1,3-dioxane
CID 59873114
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(2R)-2-pentyloxirane
CID 11147691
2-[(4S,6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol
CID 134854733
(2S,4R)-4-heptyl-2-(iodomethyl)-2-methyloxetane
CID 11255336

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane?
The IUPAC name of (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane (CID 102061144) is (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane is CCCCC[C@@H]1C[C@H](C(C)C)OC(C)(C)O1.
What is the InChIKey of (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane?
The InChIKey is BWJKEWHJYIIGSH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-12-10-13(11(2)3)16-14(4,5)15-12/h11-13H,6-10H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane?
(4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane has a molecular weight of 228.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,2-dimethyl-4-pentyl-6-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 102061144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).